ethyl (4S)-4-(4-chlorophenyl)-2-oxidanylidene-6-(pyrrolidin-1-ium-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-(4-chlorophenyl)-2-oxidanylidene-6-(pyrrolidin-1-ium-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(4-chlorophenyl)-2-oxo-6-(pyrrolidin-1-ium-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-chlorophenyl)-2-oxo-6-(1-pyrrolidin-1-iumylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(4-chlorophenyl)-2-oxo-6-(pyrrolidin-1-ium-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(4-chlorophenyl)-2-keto-6-(pyrrolidin-1-ium-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H23ClN3O3+ MolecularWeight: 364.84652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)C[NH+]3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=C(C=C2)Cl)C[NH+]3CCCC3

InChI

InChI=1S/C18H22ClN3O3/c1-2-25-17(23)15-14(11-22-9-3-4-10-22)20-18(24)21-16(15)12-5-7-13(19)8-6-12/h5-8,16H,2-4,9-11H2,1H3,(H2,20,21,24)/p+1/t16-/m0/s1