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

Systemtic Name: 6-ethoxy-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-(phenylsulfonyl)quinolin-1-ium Openeye Name: 3-(benzenesulfonyl)-4-(4-benzylpiperazin-4-ium-1-yl)-6-ethoxy-quinolin-1-ium CAS Name: 3-(benzenesulfonyl)-6-ethoxy-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]quinolin-1-ium IUPAC Name: 3-(benzenesulfonyl)-4-(4-benzylpiperazin-4-ium-1-yl)-6-ethoxyquinolin-1-ium Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-besyl-6-ethoxy-quinolin-1-ium Formula: C28H31N3O3S+2 MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H29N3O3S/c1-2-34-23-13-14-26-25(19-23)28(27(20-29-26)35(32,33)24-11-7-4-8-12-24)31-17-15-30(16-18-31)21-22-9-5-3-6-10-22/h3-14,19-20H,2,15-18,21H2,1H3/p+2