3-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]aniline

Systemtic Name: 3-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]aniline Openeye Name: 3-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]aniline CAS Name: 3-[4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]aniline IUPAC Name: 3-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]aniline Traditional Name: [3-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]phenyl]amine Formula: C16H21N4+ MolecularWeight: 269.36474

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=N2)C3=CC(=CC=C3)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=N2)C3=CC(=CC=C3)N

InChI

InChI=1S/C16H20N4/c17-14-4-3-6-16(12-14)20-10-8-19(9-11-20)13-15-5-1-2-7-18-15/h1-7,12H,8-11,13,17H2/p+1