N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-[4-(4-methylpiperidino)sulfonylphenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H29N3O3S/c1-18-10-14-26(15-11-18)30(28,29)22-8-6-21(7-9-22)24-23(27)17-25-13-12-19-4-2-3-5-20(19)16-25/h2-9,18H,10-17H2,1H3,(H,24,27)/p+1