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

Systemtic Name: 1-pyrrolidin-1-ylsulfonyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]piperidine-4-carboxamide Openeye Name: 1-pyrrolidin-1-ylsulfonyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]piperidine-4-carboxamide CAS Name: 1-(1-pyrrolidinylsulfonyl)-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-pyrrolidin-1-ylsulfonyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]piperidine-4-carboxamide Traditional Name: 1-pyrrolidinosulfonyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]isonipecotamide Formula: C21H33N4O3S+ MolecularWeight: 421.57672

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H32N4O3S/c26-21(22-10-16-23-13-7-18-5-1-2-6-20(18)17-23)19-8-14-25(15-9-19)29(27,28)24-11-3-4-12-24/h1-2,5-6,19H,3-4,7-17H2,(H,22,26)/p+1