4-[4-[(3-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]aniline

Systemtic Name: 4-[4-[(3-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]aniline Openeye Name: 4-[4-(m-tolylmethyl)-1,4-diazepan-4-ium-1-yl]aniline CAS Name: 4-[4-[(3-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]aniline IUPAC Name: 4-[4-[(3-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]aniline Traditional Name: [4-[4-(3-methylbenzyl)-1,4-diazepan-4-ium-1-yl]phenyl]amine Formula: C19H26N3+ MolecularWeight: 296.42984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3/c1-16-4-2-5-17(14-16)15-21-10-3-11-22(13-12-21)19-8-6-18(20)7-9-19/h2,4-9,14H,3,10-13,15,20H2,1H3/p+1