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

Systemtic Name: 4-[4-(phenylmethyl)piperazin-1-yl]-3-(phenylsulfonyl)quinolin-1-ium Openeye Name: 3-(benzenesulfonyl)-4-(4-benzylpiperazin-1-yl)quinolin-1-ium CAS Name: 3-(benzenesulfonyl)-4-[4-(phenylmethyl)-1-piperazinyl]quinolin-1-ium IUPAC Name: 3-(benzenesulfonyl)-4-(4-benzylpiperazin-1-yl)quinolin-1-ium Traditional Name: 4-(4-benzylpiperazino)-3-besyl-quinolin-1-ium Formula: C26H26N3O2S+ MolecularWeight: 444.56854

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=[NH+]C4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=[NH+]C4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H25N3O2S/c30-32(31,22-11-5-2-6-12-22)25-19-27-24-14-8-7-13-23(24)26(25)29-17-15-28(16-18-29)20-21-9-3-1-4-10-21/h1-14,19H,15-18,20H2/p+1