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

Systemtic Name: 3-[4-[(3,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]aniline Openeye Name: 3-[4-[(3,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]aniline CAS Name: 3-[4-[(3,4-dimethylphenyl)methyl]-1-piperazin-4-iumyl]aniline IUPAC Name: 3-[4-[(3,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]aniline Traditional Name: [3-[4-(3,4-dimethylbenzyl)piperazin-4-ium-1-yl]phenyl]amine Formula: C19H26N3+ MolecularWeight: 296.42984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3/c1-15-6-7-17(12-16(15)2)14-21-8-10-22(11-9-21)19-5-3-4-18(20)13-19/h3-7,12-13H,8-11,14,20H2,1-2H3/p+1