3-(4-chlorophenyl)sulfonyl-6-methoxy-4-(4-phenylpiperazin-1-yl)quinolin-1-ium

Systemtic Name: 3-(4-chlorophenyl)sulfonyl-6-methoxy-4-(4-phenylpiperazin-1-yl)quinolin-1-ium Openeye Name: 3-(4-chlorophenyl)sulfonyl-6-methoxy-4-(4-phenylpiperazin-1-yl)quinolin-1-ium CAS Name: 3-(4-chlorophenyl)sulfonyl-6-methoxy-4-(4-phenyl-1-piperazinyl)quinolin-1-ium IUPAC Name: 3-(4-chlorophenyl)sulfonyl-6-methoxy-4-(4-phenylpiperazin-1-yl)quinolin-1-ium Traditional Name: 3-(4-chlorophenyl)sulfonyl-6-methoxy-4-(4-phenylpiperazino)quinolin-1-ium Formula: C26H25ClN3O3S+ MolecularWeight: 495.013

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=C(C=C3)Cl)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=C(C=C3)Cl)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C26H24ClN3O3S/c1-33-21-9-12-24-23(17-21)26(30-15-13-29(14-16-30)20-5-3-2-4-6-20)25(18-28-24)34(31,32)22-10-7-19(27)8-11-22/h2-12,17-18H,13-16H2,1H3/p+1