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

Systemtic Name: 2-[4-[3-(4-methylphenyl)propyl]piperazin-4-ium-1-yl]aniline Openeye Name: 2-[4-[3-(p-tolyl)propyl]piperazin-4-ium-1-yl]aniline CAS Name: 2-[4-[3-(4-methylphenyl)propyl]-1-piperazin-4-iumyl]aniline IUPAC Name: 2-[4-[3-(4-methylphenyl)propyl]piperazin-4-ium-1-yl]aniline Traditional Name: [2-[4-[3-(p-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=C(C=C1)CCC[NH+]2CCN(CC2)C3=CC=CC=C3N

Isomeric SMILES

CC1=CC=C(C=C1)CCC[NH+]2CCN(CC2)C3=CC=CC=C3N

InChI

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