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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C3=CC(=CC=C3)N

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C3=CC(=CC=C3)N

InChI

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