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

Systemtic Name: 1-piperidin-1-ylsulfonyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]piperidine-4-carboxamide Openeye Name: 1-(1-piperidylsulfonyl)-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]piperidine-4-carboxamide CAS Name: 1-(1-piperidinylsulfonyl)-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-piperidin-1-ylsulfonyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]piperidine-4-carboxamide Traditional Name: 1-piperidinosulfonyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]isonipecotamide Formula: C22H35N4O3S+ MolecularWeight: 435.6033

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)N2CCC(CC2)C(=O)NCC[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)N2CCC(CC2)C(=O)NCC[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H34N4O3S/c27-22(23-11-17-24-14-8-19-6-2-3-7-21(19)18-24)20-9-15-26(16-10-20)30(28,29)25-12-4-1-5-13-25/h2-3,6-7,20H,1,4-5,8-18H2,(H,23,27)/p+1