4-methyl-N-[[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]benzenesulfonamide Openeye Name: 4-methyl-N-[[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]benzenesulfonamide CAS Name: 4-methyl-N-[[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]benzenesulfonamide Traditional Name: 4-methyl-N-[[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]benzenesulfonamide Formula: C17H21N2O2S+ MolecularWeight: 317.42584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC2C3=CC=CC=C3CC[NH2+]2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC[C@@H]2C3=CC=CC=C3CC[NH2+]2

InChI

InChI=1S/C17H20N2O2S/c1-13-6-8-15(9-7-13)22(20,21)19-12-17-16-5-3-2-4-14(16)10-11-18-17/h2-9,17-19H,10-12H2,1H3/p+1/t17-/m1/s1