N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(2R)-2-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-(3-pyridylsulfonyl)isonipecotamide Formula: C24H33N4O4S+ MolecularWeight: 473.60822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)[C@H](CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3)[NH+]4CCCC4

InChI

InChI=1S/C24H32N4O4S/c1-32-21-7-4-6-20(16-21)23(27-12-2-3-13-27)18-26-24(29)19-9-14-28(15-10-19)33(30,31)22-8-5-11-25-17-22/h4-8,11,16-17,19,23H,2-3,9-10,12-15,18H2,1H3,(H,26,29)/p+1/t23-/m0/s1