N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-[(E)-2-phenylethenyl]sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-[(E)-2-phenylethenyl]sulfonyl-piperazine-1-carboxamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-[(E)-styryl]sulfonyl-piperazine-1-carboxamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carboxamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-[(E)-styryl]sulfonyl-piperazine-1-carboxamide Formula: C26H35N4O4S+ MolecularWeight: 499.6455

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)N2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)N2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3)[NH+]4CCCC4

InChI

InChI=1S/C26H34N4O4S/c1-34-24-11-9-23(10-12-24)25(28-14-5-6-15-28)21-27-26(31)29-16-18-30(19-17-29)35(32,33)20-13-22-7-3-2-4-8-22/h2-4,7-13,20,25H,5-6,14-19,21H2,1H3,(H,27,31)/p+1/b20-13+/t25-/m0/s1