[4-[4-[(E)-C-(4-bromophenyl)-N-ethoxy-carbonimidoyl]piperidin-1-yl]-4-methyl-piperidin-1-yl]-(2,4-dimethyl-1-oxidanidyl-pyridin-1-ium-3-yl)methanone; propanoic acid

Systemtic Name: [4-[4-[(E)-C-(4-bromophenyl)-N-ethoxy-carbonimidoyl]piperidin-1-yl]-4-methyl-piperidin-1-yl]-(2,4-dimethyl-1-oxidanidyl-pyridin-1-ium-3-yl)methanone; propanoic acid Openeye Name: [4-[4-[(E)-C-(4-bromophenyl)-N-ethoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]-(2,4-dimethyl-1-oxido-pyridin-1-ium-3-yl)methanone; propionic acid CAS Name: [4-[4-[(E)-(4-bromophenyl)-ethoxyiminomethyl]-1-piperidinyl]-4-methyl-1-piperidinyl]-(2,4-dimethyl-1-oxido-3-pyridin-1-iumyl)methanone; propanoic acid IUPAC Name: [4-[4-[(E)-C-(4-bromophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)methanone; propanoic acid Traditional Name: [4-[4-[(E)-C-(4-bromophenyl)-N-ethoxy-carbonimidoyl]piperidino]-4-methyl-piperidino]-(2,4-dimethyl-1-oxido-pyridin-1-ium-3-yl)methanone; propionic acid Formula: C31H43BrN4O5 MolecularWeight: 631.60092

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)O.CCON=C(C1CCN(CC1)C2(CCN(CC2)C(=O)C3=C(C=C[N+](=C3C)[O-])C)C)C4=CC=C(C=C4)Br

Isomeric SMILES

CCC(=O)O.CCO/N=C(\C1CCN(CC1)C2(CCN(CC2)C(=O)C3=C(C=C[N+](=C3C)[O-])C)C)/C4=CC=C(C=C4)Br

InChI

InChI=1S/C28H37BrN4O3.C3H6O2/c1-5-36-30-26(22-6-8-24(29)9-7-22)23-11-15-32(16-12-23)28(4)13-18-31(19-14-28)27(34)25-20(2)10-17-33(35)21(25)3;1-2-3(4)5/h6-10,17,23H,5,11-16,18-19H2,1-4H3;2H2,1H3,(H,4,5)/b30-26-;