6-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-amine

Systemtic Name: 6-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-amine Openeye Name: 6-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-amine CAS Name: 6-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-3-pyridin-1-iumamine IUPAC Name: 6-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]pyridin-1-ium-3-amine Traditional Name: [6-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-yl]amine Formula: C17H24N4+2 MolecularWeight: 284.39926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C3=[NH+]C=C(C=C3)N

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C3=[NH+]C=C(C=C3)N

InChI

InChI=1S/C17H22N4/c1-14-4-2-3-5-15(14)13-20-8-10-21(11-9-20)17-7-6-16(18)12-19-17/h2-7,12H,8-11,13,18H2,1H3/p+2