6-ethyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(phenylsulfonyl)quinolin-1-ium

Systemtic Name: 6-ethyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(phenylsulfonyl)quinolin-1-ium Openeye Name: 3-(benzenesulfonyl)-6-ethyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinolin-1-ium CAS Name: 3-(benzenesulfonyl)-6-ethyl-4-[4-(4-methoxyphenyl)-1-piperazinyl]quinolin-1-ium IUPAC Name: 3-(benzenesulfonyl)-6-ethyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinolin-1-ium Traditional Name: 3-besyl-6-ethyl-4-[4-(4-methoxyphenyl)piperazino]quinolin-1-ium Formula: C28H30N3O3S+ MolecularWeight: 488.6211

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)OC

Isomeric SMILES

CCC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)OC

InChI

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