methyl 1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[[(2,4-dimethylanilino)-oxomethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C18H26N3O4+ MolecularWeight: 348.41674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NC(=O)C[NH+]2CCC(CC2)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC(=O)C[NH+]2CCC(CC2)C(=O)OC)C

InChI

InChI=1S/C18H25N3O4/c1-12-4-5-15(13(2)10-12)19-18(24)20-16(22)11-21-8-6-14(7-9-21)17(23)25-3/h4-5,10,14H,6-9,11H2,1-3H3,(H2,19,20,22,24)/p+1