ethyl (3R)-1-[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[2-[[(3,4-diethoxyanilino)-oxomethyl]amino]-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C21H32N3O6+ MolecularWeight: 422.49528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)NC(=O)C[NH+]2CCCC(C2)C(=O)OCC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)NC(=O)C[NH+]2CCC[C@H](C2)C(=O)OCC)OCC

InChI

InChI=1S/C21H31N3O6/c1-4-28-17-10-9-16(12-18(17)29-5-2)22-21(27)23-19(25)14-24-11-7-8-15(13-24)20(26)30-6-3/h9-10,12,15H,4-8,11,13-14H2,1-3H3,(H2,22,23,25,27)/p+1/t15-/m1/s1