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

Systemtic Name: 6-[4-(3-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-amine Openeye Name: 6-[4-(m-tolyl)piperazin-1-yl]pyridin-1-ium-3-amine CAS Name: 6-[4-(3-methylphenyl)-1-piperazinyl]-3-pyridin-1-iumamine IUPAC Name: 6-[4-(3-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-amine Traditional Name: [6-[4-(m-tolyl)piperazino]pyridin-1-ium-3-yl]amine Formula: C16H21N4+ MolecularWeight: 269.36474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C3=[NH+]C=C(C=C3)N

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C3=[NH+]C=C(C=C3)N

InChI

InChI=1S/C16H20N4/c1-13-3-2-4-15(11-13)19-7-9-20(10-8-19)16-6-5-14(17)12-18-16/h2-6,11-12H,7-10,17H2,1H3/p+1