N-(3-piperidin-1-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-(3-piperidin-1-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-[3-(1-piperidylsulfonyl)phenyl]-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-[3-(1-piperidinylsulfonyl)phenyl]-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(3-piperidin-1-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(3-piperidinosulfonylphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C[N+]3=CC4=C(CCCC4)C=C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C[N+]3=CC4=C(CCCC4)C=C3

InChI

InChI=1S/C22H27N3O3S/c26-22(17-24-14-11-18-7-2-3-8-19(18)16-24)23-20-9-6-10-21(15-20)29(27,28)25-12-4-1-5-13-25/h6,9-11,14-16H,1-5,7-8,12-13,17H2/p+1