6-ethyl-3-(4-methoxyphenyl)sulfonyl-4-(4-phenylpiperazin-1-yl)quinolin-1-ium

Systemtic Name: 6-ethyl-3-(4-methoxyphenyl)sulfonyl-4-(4-phenylpiperazin-1-yl)quinolin-1-ium Openeye Name: 6-ethyl-3-(4-methoxyphenyl)sulfonyl-4-(4-phenylpiperazin-1-yl)quinolin-1-ium CAS Name: 6-ethyl-3-(4-methoxyphenyl)sulfonyl-4-(4-phenyl-1-piperazinyl)quinolin-1-ium IUPAC Name: 6-ethyl-3-(4-methoxyphenyl)sulfonyl-4-(4-phenylpiperazin-1-yl)quinolin-1-ium Traditional Name: 6-ethyl-3-(4-methoxyphenyl)sulfonyl-4-(4-phenylpiperazino)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=C(C=C3)OC)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

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

InChI

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