N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C22H30N3O3S2+ MolecularWeight: 448.6219

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCCC[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCCC[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H29N3O3S2/c26-22(20-8-3-13-25(17-20)30(27,28)21-9-4-15-29-21)23-11-5-12-24-14-10-18-6-1-2-7-19(18)16-24/h1-2,4,6-7,9,15,20H,3,5,8,10-14,16-17H2,(H,23,26)/p+1