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

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

Isomeric SMILES

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

InChI

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