N2-methyl-N2-(1-methylpiperidin-1-ium-4-yl)benzene-1,2-diamine

Systemtic Name: N2-methyl-N2-(1-methylpiperidin-1-ium-4-yl)benzene-1,2-diamine Openeye Name: N2-methyl-N2-(1-methylpiperidin-1-ium-4-yl)benzene-1,2-diamine CAS Name: N2-methyl-N2-(1-methyl-4-piperidin-1-iumyl)benzene-1,2-diamine IUPAC Name: 2-N-methyl-2-N-(1-methylpiperidin-1-ium-4-yl)benzene-1,2-diamine Traditional Name: (2-aminophenyl)-methyl-(1-methylpiperidin-1-ium-4-yl)amine Formula: C13H22N3+ MolecularWeight: 220.33388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C2=CC=CC=C2N

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C2=CC=CC=C2N

InChI

InChI=1S/C13H21N3/c1-15-9-7-11(8-10-15)16(2)13-6-4-3-5-12(13)14/h3-6,11H,7-10,14H2,1-2H3/p+1