(4-methylpiperazin-4-ium-1-yl)-[1-(5-nitropyridin-1-ium-2-yl)piperidin-4-yl]methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-[1-(5-nitropyridin-1-ium-2-yl)piperidin-4-yl]methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-[1-(5-nitropyridin-1-ium-2-yl)-4-piperidyl]methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-[1-(5-nitro-2-pyridin-1-iumyl)-4-piperidinyl]methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-[1-(5-nitropyridin-1-ium-2-yl)piperidin-4-yl]methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-[1-(5-nitropyridin-1-ium-2-yl)-4-piperidyl]methanone Formula: C16H25N5O3+2 MolecularWeight: 335.4014

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H23N5O3/c1-18-8-10-20(11-9-18)16(22)13-4-6-19(7-5-13)15-3-2-14(12-17-15)21(23)24/h2-3,12-13H,4-11H2,1H3/p+2