6-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-amine

Systemtic Name: 6-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-amine Openeye Name: 6-(4-benzylpiperazin-4-ium-1-yl)pyridin-1-ium-3-amine CAS Name: 6-[4-(phenylmethyl)-1-piperazin-4-iumyl]-3-pyridin-1-iumamine IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-yl)pyridin-1-ium-3-amine Traditional Name: [6-(4-benzylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]amine Formula: C16H22N4+2 MolecularWeight: 270.37268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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