2-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]quinoline

Systemtic Name: 2-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]quinoline Openeye Name: 2-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]quinoline CAS Name: 2-[[4-(2-methylphenyl)-1-piperazin-1-iumyl]methyl]quinoline IUPAC Name: 2-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]quinoline Traditional Name: 2-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]quinoline Formula: C21H24N3+ MolecularWeight: 318.43536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H23N3/c1-17-6-2-5-9-21(17)24-14-12-23(13-15-24)16-19-11-10-18-7-3-4-8-20(18)22-19/h2-11H,12-16H2,1H3/p+1