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

Systemtic Name: 2-[4-(phenylmethyl)piperazin-1-yl]pyridin-1-ium-3-amine Openeye Name: 2-(4-benzylpiperazin-1-yl)pyridin-1-ium-3-amine CAS Name: 2-[4-(phenylmethyl)-1-piperazinyl]-3-pyridin-1-iumamine IUPAC Name: 2-(4-benzylpiperazin-1-yl)pyridin-1-ium-3-amine Traditional Name: [2-(4-benzylpiperazino)pyridin-1-ium-3-yl]amine Formula: C16H21N4+ MolecularWeight: 269.36474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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