4-[(4-cyanophenyl)methyl]-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(4-cyanophenyl)methyl]-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[(4-cyanophenyl)methyl]-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[(4-cyanophenyl)methyl]-N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(4-cyanophenyl)methyl]-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-(4-cyanobenzyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperazin-4-ium-1-carboxamide Formula: C26H35N5O2+2 MolecularWeight: 449.5884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C#N)[NH+]4CCCC4

InChI

InChI=1S/C26H33N5O2/c1-33-24-10-8-23(9-11-24)25(30-12-2-3-13-30)19-28-26(32)31-16-14-29(15-17-31)20-22-6-4-21(18-27)5-7-22/h4-11,25H,2-3,12-17,19-20H2,1H3,(H,28,32)/p+2/t25-/m0/s1