(3S)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C22H30N3O4S2+ MolecularWeight: 464.6213

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCC3=CC=CC=C3C[NH+]4CCOCC4

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCC3=CC=CC=C3C[NH+]4CCOCC4

InChI

InChI=1S/C22H29N3O4S2/c26-22(20-7-3-9-25(17-20)31(27,28)21-8-4-14-30-21)23-15-18-5-1-2-6-19(18)16-24-10-12-29-13-11-24/h1-2,4-6,8,14,20H,3,7,9-13,15-17H2,(H,23,26)/p+1/t20-/m0/s1