3-(4-ethylphenyl)sulfonyl-6-methoxy-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium

Systemtic Name: 3-(4-ethylphenyl)sulfonyl-6-methoxy-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium Openeye Name: 3-(4-ethylphenyl)sulfonyl-6-methoxy-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium CAS Name: 3-(4-ethylphenyl)sulfonyl-6-methoxy-4-(4-methyl-1-piperazin-4-iumyl)quinolin-1-ium IUPAC Name: 3-(4-ethylphenyl)sulfonyl-6-methoxy-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium Traditional Name: 3-(4-ethylphenyl)sulfonyl-6-methoxy-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium Formula: C23H29N3O3S+2 MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CC[NH+](CC4)C)OC

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CC[NH+](CC4)C)OC

InChI

InChI=1S/C23H27N3O3S/c1-4-17-5-8-19(9-6-17)30(27,28)22-16-24-21-10-7-18(29-3)15-20(21)23(22)26-13-11-25(2)12-14-26/h5-10,15-16H,4,11-14H2,1-3H3/p+2