6-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one

Systemtic Name: 6-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one Openeye Name: 6-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one CAS Name: 6-[[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]-3,4-dihydro-1H-quinolin-2-one IUPAC Name: 6-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one Traditional Name: 6-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]sulfonyl-3,4-dihydrocarbostyril Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)CC4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)CC4

InChI

InChI=1S/C21H25N3O3S/c1-16-4-2-3-5-18(16)15-23-10-12-24(13-11-23)28(26,27)19-7-8-20-17(14-19)6-9-21(25)22-20/h2-5,7-8,14H,6,9-13,15H2,1H3,(H,22,25)/p+1