4-(1,3-benzodioxol-5-ylmethyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperazin-4-ium-1-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]piperazin-4-ium-1-carboxamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-piperonyl-piperazin-4-ium-1-carboxamide Formula: C26H36N4O4+2 MolecularWeight: 468.58844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)[NH+]5CCCC5

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)[NH+]5CCCC5

InChI

InChI=1S/C26H34N4O4/c1-32-22-7-5-21(6-8-22)23(29-10-2-3-11-29)17-27-26(31)30-14-12-28(13-15-30)18-20-4-9-24-25(16-20)34-19-33-24/h4-9,16,23H,2-3,10-15,17-19H2,1H3,(H,27,31)/p+2/t23-/m0/s1