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

Systemtic Name: 1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[[(2,4-dimethylanilino)-oxomethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C17H25N4O3+ MolecularWeight: 333.4054

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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)N)C

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O3/c1-11-3-4-14(12(2)9-11)19-17(24)20-15(22)10-21-7-5-13(6-8-21)16(18)23/h3-4,9,13H,5-8,10H2,1-2H3,(H2,18,23)(H2,19,20,22,24)/p+1