1-[(2S)-2-methylpiperidin-1-yl]-2-[4-(5-nitropyridin-2-yl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[(2S)-2-methylpiperidin-1-yl]-2-[4-(5-nitropyridin-2-yl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-[(2S)-2-methyl-1-piperidyl]-2-[4-(5-nitro-2-pyridyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[(2S)-2-methyl-1-piperidinyl]-2-[4-(5-nitro-2-pyridinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(2S)-2-methylpiperidin-1-yl]-2-[4-(5-nitropyridin-2-yl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-[(2S)-2-methylpiperidino]-2-[4-(5-nitro-2-pyridyl)piperazin-1-ium-1-yl]ethanone Formula: C17H26N5O3+ MolecularWeight: 348.42004

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C[NH+]2CCN(CC2)C3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCCN1C(=O)C[NH+]2CCN(CC2)C3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H25N5O3/c1-14-4-2-3-7-21(14)17(23)13-19-8-10-20(11-9-19)16-6-5-15(12-18-16)22(24)25/h5-6,12,14H,2-4,7-11,13H2,1H3/p+1/t14-/m0/s1