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

Systemtic Name: 6-ethyl-4-(4-phenylpiperazin-1-yl)-3-(phenylsulfonyl)quinolin-1-ium Openeye Name: 3-(benzenesulfonyl)-6-ethyl-4-(4-phenylpiperazin-1-yl)quinolin-1-ium CAS Name: 3-(benzenesulfonyl)-6-ethyl-4-(4-phenyl-1-piperazinyl)quinolin-1-ium IUPAC Name: 3-(benzenesulfonyl)-6-ethyl-4-(4-phenylpiperazin-1-yl)quinolin-1-ium Traditional Name: 3-besyl-6-ethyl-4-(4-phenylpiperazino)quinolin-1-ium Formula: C27H28N3O2S+ MolecularWeight: 458.59512

Click to see the large picture

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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O2S/c1-2-21-13-14-25-24(19-21)27(26(20-28-25)33(31,32)23-11-7-4-8-12-23)30-17-15-29(16-18-30)22-9-5-3-6-10-22/h3-14,19-20H,2,15-18H2,1H3/p+1