N-[1-[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]cyclohexanecarboxamide

Systemtic Name: N-[1-[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]cyclohexanecarboxamide Openeye Name: N-[1-[2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl]piperidin-1-ium-4-yl]cyclohexanecarboxamide CAS Name: N-[1-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-4-piperidin-1-iumyl]cyclohexanecarboxamide IUPAC Name: N-[1-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]piperidin-1-ium-4-yl]cyclohexanecarboxamide Traditional Name: N-[1-[2-keto-2-(4-methoxy-2-nitro-anilino)ethyl]piperidin-1-ium-4-yl]cyclohexanecarboxamide Formula: C21H31N4O5+ MolecularWeight: 419.49464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C[NH+]2CCC(CC2)NC(=O)C3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C[NH+]2CCC(CC2)NC(=O)C3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H30N4O5/c1-30-17-7-8-18(19(13-17)25(28)29)23-20(26)14-24-11-9-16(10-12-24)22-21(27)15-5-3-2-4-6-15/h7-8,13,15-16H,2-6,9-12,14H2,1H3,(H,22,27)(H,23,26)/p+1