5-[4-(phenylmethyl)piperazin-1-yl]pyridin-1-ium-2-amine

Systemtic Name: 5-[4-(phenylmethyl)piperazin-1-yl]pyridin-1-ium-2-amine Openeye Name: 5-(4-benzylpiperazin-1-yl)pyridin-1-ium-2-amine CAS Name: 5-[4-(phenylmethyl)-1-piperazinyl]-2-pyridin-1-iumamine IUPAC Name: 5-(4-benzylpiperazin-1-yl)pyridin-1-ium-2-amine Traditional Name: [5-(4-benzylpiperazino)pyridin-1-ium-2-yl]amine Formula: C16H21N4+ MolecularWeight: 269.36474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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