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

Systemtic Name: (4-methylpiperazin-1-yl)-[(3S)-1-(5-nitropyridin-2-yl)piperidin-3-yl]methanone Openeye Name: (4-methylpiperazin-1-yl)-[(3S)-1-(5-nitro-2-pyridyl)-3-piperidyl]methanone CAS Name: (4-methyl-1-piperazinyl)-[(3S)-1-(5-nitro-2-pyridinyl)-3-piperidinyl]methanone IUPAC Name: (4-methylpiperazin-1-yl)-[(3S)-1-(5-nitropyridin-2-yl)piperidin-3-yl]methanone Traditional Name: (4-methylpiperazino)-[(3S)-1-(5-nitro-2-pyridyl)-3-piperidyl]methanone Formula: C16H23N5O3 MolecularWeight: 333.38552

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2CCCN(C2)C3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C(=O)[C@H]2CCCN(C2)C3=NC=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/t13-/m0/s1