N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[(2S)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: 1-mesyl-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]isonipecotamide Formula: C20H32N3O4S+ MolecularWeight: 410.55078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2CCN(CC2)S(=O)(=O)C)[NH+]3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H](CNC(=O)C2CCN(CC2)S(=O)(=O)C)[NH+]3CCCC3

InChI

InChI=1S/C20H31N3O4S/c1-27-18-7-5-16(6-8-18)19(22-11-3-4-12-22)15-21-20(24)17-9-13-23(14-10-17)28(2,25)26/h5-8,17,19H,3-4,9-15H2,1-2H3,(H,21,24)/p+1/t19-/m1/s1