7-methoxy-4-phenyl-2-[4-(phenylsulfonyl)piperazin-1-yl]quinolin-1-ium

Systemtic Name: 7-methoxy-4-phenyl-2-[4-(phenylsulfonyl)piperazin-1-yl]quinolin-1-ium Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-7-methoxy-4-phenyl-quinolin-1-ium CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-7-methoxy-4-phenylquinolin-1-ium IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-7-methoxy-4-phenylquinolin-1-ium Traditional Name: 2-(4-besylpiperazino)-7-methoxy-4-phenyl-quinolin-1-ium Formula: C26H26N3O3S+ MolecularWeight: 460.56794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=[NH+]2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=[NH+]2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H25N3O3S/c1-32-21-12-13-23-24(20-8-4-2-5-9-20)19-26(27-25(23)18-21)28-14-16-29(17-15-28)33(30,31)22-10-6-3-7-11-22/h2-13,18-19H,14-17H2,1H3/p+1