3-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]aniline

Systemtic Name: 3-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]aniline Openeye Name: 3-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]aniline CAS Name: 3-[[4-(3-methylphenyl)-1-piperazin-1-iumyl]methyl]aniline IUPAC Name: 3-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]aniline Traditional Name: [3-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]phenyl]amine Formula: C18H24N3+ MolecularWeight: 282.40326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC3=CC(=CC=C3)N

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC3=CC(=CC=C3)N

InChI

InChI=1S/C18H23N3/c1-15-4-2-7-18(12-15)21-10-8-20(9-11-21)14-16-5-3-6-17(19)13-16/h2-7,12-13H,8-11,14,19H2,1H3/p+1