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

Systemtic Name: 2-[4-(3-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-amine Openeye Name: 2-[4-(m-tolyl)piperazin-1-yl]pyridin-1-ium-3-amine CAS Name: 2-[4-(3-methylphenyl)-1-piperazinyl]-3-pyridin-1-iumamine IUPAC Name: 2-[4-(3-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-amine Traditional Name: [2-[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=C(C=CC=[NH+]3)N

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C3=C(C=CC=[NH+]3)N

InChI

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