3-(3,4-dimethylphenyl)sulfonyl-4-[4-(phenylmethyl)piperazin-1-yl]quinolin-1-ium

Systemtic Name: 3-(3,4-dimethylphenyl)sulfonyl-4-[4-(phenylmethyl)piperazin-1-yl]quinolin-1-ium Openeye Name: 4-(4-benzylpiperazin-1-yl)-3-(3,4-dimethylphenyl)sulfonyl-quinolin-1-ium CAS Name: 3-(3,4-dimethylphenyl)sulfonyl-4-[4-(phenylmethyl)-1-piperazinyl]quinolin-1-ium IUPAC Name: 4-(4-benzylpiperazin-1-yl)-3-(3,4-dimethylphenyl)sulfonylquinolin-1-ium Traditional Name: 4-(4-benzylpiperazino)-3-(3,4-dimethylphenyl)sulfonyl-quinolin-1-ium Formula: C28H30N3O2S+ MolecularWeight: 472.6217

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(C3=CC=CC=C3[NH+]=C2)N4CCN(CC4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(C3=CC=CC=C3[NH+]=C2)N4CCN(CC4)CC5=CC=CC=C5)C

InChI

InChI=1S/C28H29N3O2S/c1-21-12-13-24(18-22(21)2)34(32,33)27-19-29-26-11-7-6-10-25(26)28(27)31-16-14-30(15-17-31)20-23-8-4-3-5-9-23/h3-13,18-19H,14-17,20H2,1-2H3/p+1