3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]aniline

Systemtic Name: 3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]aniline Openeye Name: 3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]aniline CAS Name: 3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]aniline IUPAC Name: 3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]aniline Traditional Name: [3-[(4-pyridin-1-ium-2-ylpiperazino)methyl]phenyl]amine Formula: C16H21N4+ MolecularWeight: 269.36474

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)N)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)N)C3=CC=CC=[NH+]3

InChI

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