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

Systemtic Name: 1-methylsulfonyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]piperidine-3-carboxamide Openeye Name: 1-methylsulfonyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]piperidine-3-carboxamide CAS Name: 1-methylsulfonyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-3-piperidinecarboxamide IUPAC Name: 1-methylsulfonyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]piperidine-3-carboxamide Traditional Name: 1-mesyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]nipecotamide Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C(=O)NCCC[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CS(=O)(=O)N1CCCC(C1)C(=O)NCCC[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C19H29N3O3S/c1-26(24,25)22-12-4-8-18(15-22)19(23)20-10-5-11-21-13-9-16-6-2-3-7-17(16)14-21/h2-3,6-7,18H,4-5,8-15H2,1H3,(H,20,23)/p+1