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

Systemtic Name: (3S)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C22H32N3O3S3+ MolecularWeight: 482.70278

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3)C4=CC=CS4

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CS3)C4=CC=CS4

InChI

InChI=1S/C22H31N3O3S3/c1-17-8-11-24(12-9-17)19(20-6-3-13-29-20)15-23-22(26)18-5-2-10-25(16-18)31(27,28)21-7-4-14-30-21/h3-4,6-7,13-14,17-19H,2,5,8-12,15-16H2,1H3,(H,23,26)/p+1/t18-,19+/m0/s1