N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[(2R)-2-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C26H35N4O4+ MolecularWeight: 467.5805

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC(C3=CC(=CC=C3)OC)[NH+]4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC[C@@H](C3=CC(=CC=C3)OC)[NH+]4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C26H34N4O4/c1-19-10-14-29(15-11-19)23-9-8-21(17-24(23)30(32)33)26(31)27-18-25(28-12-3-4-13-28)20-6-5-7-22(16-20)34-2/h5-9,16-17,19,25H,3-4,10-15,18H2,1-2H3,(H,27,31)/p+1/t25-/m0/s1