2-[(2-chloranyl-4-methyl-phenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2-chloranyl-4-methyl-phenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(2-chloro-4-methyl-phenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(2-chloro-4-methylphenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(2-chloro-4-methylphenyl)sulfonyl-[(4-cyanophenyl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(2-chloro-4-methyl-phenyl)sulfonyl-(4-cyanobenzyl)amino]ethyl-dimethyl-ammonium Formula: C19H23ClN3O2S+ MolecularWeight: 392.92282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N(CC[NH+](C)C)CC2=CC=C(C=C2)C#N)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N(CC[NH+](C)C)CC2=CC=C(C=C2)C#N)Cl

InChI

InChI=1S/C19H22ClN3O2S/c1-15-4-9-19(18(20)12-15)26(24,25)23(11-10-22(2)3)14-17-7-5-16(13-21)6-8-17/h4-9,12H,10-11,14H2,1-3H3/p+1