3-[4-[3-(2-methylphenyl)propyl]piperazin-4-ium-1-yl]aniline

Systemtic Name: 3-[4-[3-(2-methylphenyl)propyl]piperazin-4-ium-1-yl]aniline Openeye Name: 3-[4-[3-(o-tolyl)propyl]piperazin-4-ium-1-yl]aniline CAS Name: 3-[4-[3-(2-methylphenyl)propyl]-1-piperazin-4-iumyl]aniline IUPAC Name: 3-[4-[3-(2-methylphenyl)propyl]piperazin-4-ium-1-yl]aniline Traditional Name: [3-[4-[3-(o-tolyl)propyl]piperazin-4-ium-1-yl]phenyl]amine Formula: C20H28N3+ MolecularWeight: 310.45642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC[NH+]2CCN(CC2)C3=CC(=CC=C3)N

Isomeric SMILES

CC1=CC=CC=C1CCC[NH+]2CCN(CC2)C3=CC(=CC=C3)N

InChI

InChI=1S/C20H27N3/c1-17-6-2-3-7-18(17)8-5-11-22-12-14-23(15-13-22)20-10-4-9-19(21)16-20/h2-4,6-7,9-10,16H,5,8,11-15,21H2,1H3/p+1