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

Systemtic Name: 3-(3,4-dimethylphenyl)sulfonyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinolin-1-ium Openeye Name: 3-(3,4-dimethylphenyl)sulfonyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinolin-1-ium CAS Name: 3-(3,4-dimethylphenyl)sulfonyl-4-[4-(4-methoxyphenyl)-1-piperazinyl]quinolin-1-ium IUPAC Name: 3-(3,4-dimethylphenyl)sulfonyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinolin-1-ium Traditional Name: 3-(3,4-dimethylphenyl)sulfonyl-4-[4-(4-methoxyphenyl)piperazino]quinolin-1-ium Formula: C28H30N3O3S+ MolecularWeight: 488.6211

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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)C5=CC=C(C=C5)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O3S/c1-20-8-13-24(18-21(20)2)35(32,33)27-19-29-26-7-5-4-6-25(26)28(27)31-16-14-30(15-17-31)22-9-11-23(34-3)12-10-22/h4-13,18-19H,14-17H2,1-3H3/p+1