2-[2-[(4S)-4-(2-chlorophenyl)-5-ethoxycarbonyl-6-methyl-2-oxidanylidene-3,4-dihydropyridin-1-yl]ethanoylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-[(4S)-4-(2-chlorophenyl)-5-ethoxycarbonyl-6-methyl-2-oxidanylidene-3,4-dihydropyridin-1-yl]ethanoylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-[(4S)-4-(2-chlorophenyl)-5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydropyridin-1-yl]acetyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-[(4S)-4-(2-chlorophenyl)-5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydropyridin-1-yl]-1-oxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-[(4S)-4-(2-chlorophenyl)-5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydropyridin-1-yl]acetyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[2-[(4S)-5-carbethoxy-4-(2-chlorophenyl)-2-keto-6-methyl-3,4-dihydropyridin-1-yl]acetyl]amino]ethyl-dimethyl-ammonium Formula: C21H29ClN3O4+ MolecularWeight: 422.92566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)CC1C2=CC=CC=C2Cl)CC(=O)NCC[NH+](C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)C[C@@H]1C2=CC=CC=C2Cl)CC(=O)NCC[NH+](C)C)C

InChI

InChI=1S/C21H28ClN3O4/c1-5-29-21(28)20-14(2)25(13-18(26)23-10-11-24(3)4)19(27)12-16(20)15-8-6-7-9-17(15)22/h6-9,16H,5,10-13H2,1-4H3,(H,23,26)/p+1/t16-/m1/s1