N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(2-methyl-5-piperidinosulfonyl-phenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[N+]3=CC4=C(CCCC4)C=C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[N+]3=CC4=C(CCCC4)C=C3

InChI

InChI=1S/C23H29N3O3S/c1-18-9-10-21(30(28,29)26-12-5-2-6-13-26)15-22(18)24-23(27)17-25-14-11-19-7-3-4-8-20(19)16-25/h9-11,14-16H,2-8,12-13,17H2,1H3/p+1