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

Systemtic Name: 3-(4-chlorophenyl)sulfonyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinolin-1-ium Openeye Name: 3-(4-chlorophenyl)sulfonyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinolin-1-ium CAS Name: 3-(4-chlorophenyl)sulfonyl-4-[4-(4-methoxyphenyl)-1-piperazinyl]quinolin-1-ium IUPAC Name: 3-(4-chlorophenyl)sulfonyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinolin-1-ium Traditional Name: 3-(4-chlorophenyl)sulfonyl-4-[4-(4-methoxyphenyl)piperazino]quinolin-1-ium Formula: C26H25ClN3O3S+ MolecularWeight: 495.013

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C=[NH+]C4=CC=CC=C43)S(=O)(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C=[NH+]C4=CC=CC=C43)S(=O)(=O)C5=CC=C(C=C5)Cl

InChI

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