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

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(3-thienylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-(3-thiophenylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(3-thenyl)piperazin-4-ium-1-carboxamide Formula: C23H34N4O2S+2 MolecularWeight: 430.60666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4O2S/c1-29-21-6-4-20(5-7-21)22(26-9-2-3-10-26)16-24-23(28)27-13-11-25(12-14-27)17-19-8-15-30-18-19/h4-8,15,18,22H,2-3,9-14,16-17H2,1H3,(H,24,28)/p+2/t22-/m0/s1