[3,5-bis(chloranyl)-1-oxidanidyl-pyridin-1-ium-4-yl]-[4-[4-[(E)-C-(4-bromophenyl)-N-ethoxy-carbonimidoyl]piperidin-1-yl]-4-methyl-piperidin-1-yl]methanone

Systemtic Name: [3,5-bis(chloranyl)-1-oxidanidyl-pyridin-1-ium-4-yl]-[4-[4-[(E)-C-(4-bromophenyl)-N-ethoxy-carbonimidoyl]piperidin-1-yl]-4-methyl-piperidin-1-yl]methanone Openeye Name: [4-[4-[(E)-C-(4-bromophenyl)-N-ethoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]-(3,5-dichloro-1-oxido-pyridin-1-ium-4-yl)methanone CAS Name: [4-[4-[(E)-(4-bromophenyl)-ethoxyiminomethyl]-1-piperidinyl]-4-methyl-1-piperidinyl]-(3,5-dichloro-1-oxido-4-pyridin-1-iumyl)methanone IUPAC Name: [4-[4-[(E)-C-(4-bromophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)methanone Traditional Name: [4-[4-[(E)-C-(4-bromophenyl)-N-ethoxy-carbonimidoyl]piperidino]-4-methyl-piperidino]-(3,5-dichloro-1-oxido-pyridin-1-ium-4-yl)methanone Formula: C26H31BrCl2N4O3 MolecularWeight: 598.35934

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Descriptors Computed from Structure

Canonical SMILES:

CCON=C(C1CCN(CC1)C2(CCN(CC2)C(=O)C3=C(C=[N+](C=C3Cl)[O-])Cl)C)C4=CC=C(C=C4)Br

Isomeric SMILES

CCO/N=C(\C1CCN(CC1)C2(CCN(CC2)C(=O)C3=C(C=[N+](C=C3Cl)[O-])Cl)C)/C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H31BrCl2N4O3/c1-3-36-30-24(18-4-6-20(27)7-5-18)19-8-12-32(13-9-19)26(2)10-14-31(15-11-26)25(34)23-21(28)16-33(35)17-22(23)29/h4-7,16-17,19H,3,8-15H2,1-2H3/b30-24-