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

Systemtic Name: 3-[4-[3-(3-methylphenyl)propyl]piperazin-4-ium-1-yl]aniline Openeye Name: 3-[4-[3-(m-tolyl)propyl]piperazin-4-ium-1-yl]aniline CAS Name: 3-[4-[3-(3-methylphenyl)propyl]-1-piperazin-4-iumyl]aniline IUPAC Name: 3-[4-[3-(3-methylphenyl)propyl]piperazin-4-ium-1-yl]aniline Traditional Name: [3-[4-[3-(m-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=C1)CCC[NH+]2CCN(CC2)C3=CC(=CC=C3)N

Isomeric SMILES

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

InChI

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