3-nitro-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyridin-1-ium-2-amine

Systemtic Name: 3-nitro-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyridin-1-ium-2-amine Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-nitro-pyridin-1-ium-2-amine CAS Name: 3-nitro-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-pyridin-1-iumamine IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-nitropyridin-1-ium-2-amine Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-(3-nitropyridin-1-ium-2-yl)amine Formula: C17H22N4O2+2 MolecularWeight: 314.38218

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC2=C(C=CC=[NH+]2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC2=C(C=CC=[NH+]2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C17H20N4O2/c22-21(23)16-7-4-10-18-17(16)19-15-8-11-20(12-9-15)13-14-5-2-1-3-6-14/h1-7,10,15H,8-9,11-13H2,(H,18,19)/p+2