(3S)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C24H34N3O4S2+ MolecularWeight: 492.67446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CS3)[NH+]4CCCCC4

InChI

InChI=1S/C24H33N3O4S2/c1-31-21-11-9-19(10-12-21)22(26-13-3-2-4-14-26)17-25-24(28)20-7-5-15-27(18-20)33(29,30)23-8-6-16-32-23/h6,8-12,16,20,22H,2-5,7,13-15,17-18H2,1H3,(H,25,28)/p+1/t20-,22-/m0/s1