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

Systemtic Name: 4-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]aniline Openeye Name: 4-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]aniline CAS Name: 4-[[4-(3-methylphenyl)-1-piperazin-1-iumyl]methyl]aniline IUPAC Name: 4-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]aniline Traditional Name: [4-[[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=C(C=C3)N

Isomeric SMILES

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

InChI

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