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

Systemtic Name: 6-ethyl-4-[4-(phenylmethyl)piperazin-1-yl]-3-(phenylsulfonyl)quinolin-1-ium Openeye Name: 3-(benzenesulfonyl)-4-(4-benzylpiperazin-1-yl)-6-ethyl-quinolin-1-ium CAS Name: 3-(benzenesulfonyl)-6-ethyl-4-[4-(phenylmethyl)-1-piperazinyl]quinolin-1-ium IUPAC Name: 3-(benzenesulfonyl)-4-(4-benzylpiperazin-1-yl)-6-ethylquinolin-1-ium Traditional Name: 4-(4-benzylpiperazino)-3-besyl-6-ethyl-quinolin-1-ium Formula: C28H30N3O2S+ MolecularWeight: 472.6217

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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)CC5=CC=CC=C5

Isomeric SMILES

CCC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCN(CC4)CC5=CC=CC=C5

InChI

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