1-[3-[(2-methoxy-5-nitro-phenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[3-[(2-methoxy-5-nitro-phenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[3-(2-methoxy-5-nitro-anilino)-3-oxo-propyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[3-(2-methoxy-5-nitroanilino)-3-oxopropyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[3-(2-methoxy-5-nitroanilino)-3-oxopropyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[3-keto-3-(2-methoxy-5-nitro-anilino)propyl]piperidin-1-ium-4-carboxamide Formula: C16H23N4O5+ MolecularWeight: 351.37762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O5/c1-25-14-3-2-12(20(23)24)10-13(14)18-15(21)6-9-19-7-4-11(5-8-19)16(17)22/h2-3,10-11H,4-9H2,1H3,(H2,17,22)(H,18,21)/p+1