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

Systemtic Name: 4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]aniline Openeye Name: 4-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]aniline CAS Name: 4-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]aniline IUPAC Name: 4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]aniline Traditional Name: [4-[4-(3-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=CN=CC=C2)C3=CC=C(C=C3)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN=CC=C2)C3=CC=C(C=C3)N

InChI

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