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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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