3-(4-ethylphenyl)sulfonyl-4-[4-(phenylmethyl)piperazin-1-yl]quinolin-1-ium

Systemtic Name: 3-(4-ethylphenyl)sulfonyl-4-[4-(phenylmethyl)piperazin-1-yl]quinolin-1-ium Openeye Name: 4-(4-benzylpiperazin-1-yl)-3-(4-ethylphenyl)sulfonyl-quinolin-1-ium CAS Name: 3-(4-ethylphenyl)sulfonyl-4-[4-(phenylmethyl)-1-piperazinyl]quinolin-1-ium IUPAC Name: 4-(4-benzylpiperazin-1-yl)-3-(4-ethylphenyl)sulfonylquinolin-1-ium Traditional Name: 4-(4-benzylpiperazino)-3-(4-ethylphenyl)sulfonyl-quinolin-1-ium Formula: C28H30N3O2S+ MolecularWeight: 472.6217

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC=CC=C3[NH+]=C2)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC=CC=C3[NH+]=C2)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H29N3O2S/c1-2-22-12-14-24(15-13-22)34(32,33)27-20-29-26-11-7-6-10-25(26)28(27)31-18-16-30(17-19-31)21-23-8-4-3-5-9-23/h3-15,20H,2,16-19,21H2,1H3/p+1