2-methyl-4-[4-(phenylsulfonyl)piperazin-1-yl]quinolin-1-ium

Systemtic Name: 2-methyl-4-[4-(phenylsulfonyl)piperazin-1-yl]quinolin-1-ium Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-methyl-quinolin-1-ium CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-2-methylquinolin-1-ium IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-methylquinolin-1-ium Traditional Name: 4-(4-besylpiperazino)-2-methyl-quinolin-1-ium Formula: C20H22N3O2S+ MolecularWeight: 368.47258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O2S/c1-16-15-20(18-9-5-6-10-19(18)21-16)22-11-13-23(14-12-22)26(24,25)17-7-3-2-4-8-17/h2-10,15H,11-14H2,1H3/p+1