N-[1-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]-4-nitro-benzamide

Systemtic Name: N-[1-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]-4-nitro-benzamide Openeye Name: N-[1-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-yl]-4-nitro-benzamide CAS Name: N-[1-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-4-piperidin-1-iumyl]-4-nitrobenzamide IUPAC Name: N-[1-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-1-ium-4-yl]-4-nitrobenzamide Traditional Name: N-[1-[2-keto-2-[[(1S,2S)-2-methylcyclohexyl]amino]ethyl]piperidin-1-ium-4-yl]-4-nitro-benzamide Formula: C21H31N4O4+ MolecularWeight: 403.49524

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C[NH+]2CCC(CC2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]2CCC(CC2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H30N4O4/c1-15-4-2-3-5-19(15)23-20(26)14-24-12-10-17(11-13-24)22-21(27)16-6-8-18(9-7-16)25(28)29/h6-9,15,17,19H,2-5,10-14H2,1H3,(H,22,27)(H,23,26)/p+1/t15-,19-/m0/s1