(4-methylpiperazin-4-ium-1-yl)-[(3S)-1-(5-nitropyridin-1-ium-2-yl)piperidin-3-yl]methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-[(3S)-1-(5-nitropyridin-1-ium-2-yl)piperidin-3-yl]methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-[(3S)-1-(5-nitropyridin-1-ium-2-yl)-3-piperidyl]methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-[(3S)-1-(5-nitro-2-pyridin-1-iumyl)-3-piperidinyl]methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-[(3S)-1-(5-nitropyridin-1-ium-2-yl)piperidin-3-yl]methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-[(3S)-1-(5-nitropyridin-1-ium-2-yl)-3-piperidyl]methanone Formula: C16H25N5O3+2 MolecularWeight: 335.4014

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2CCCN(C2)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)[C@H]2CCCN(C2)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H23N5O3/c1-18-7-9-19(10-8-18)16(22)13-3-2-6-20(12-13)15-5-4-14(11-17-15)21(23)24/h4-5,11,13H,2-3,6-10,12H2,1H3/p+2/t13-/m0/s1