2-[4-aminocarbonyl-5-ethyl-6-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl 3,4-dihydro-2H-quinoline-1-carboxylate

Systemtic Name: 2-[4-aminocarbonyl-5-ethyl-6-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl 3,4-dihydro-2H-quinoline-1-carboxylate Openeye Name: 2-[4-carbamoyl-5-ethyl-6-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl 3,4-dihydro-2H-quinoline-1-carboxylate CAS Name: 3,4-dihydro-2H-quinoline-1-carboxylic acid 2-[6-[anilino(oxo)methyl]-4-carbamoyl-5-ethyl-1-propyl-3-pyridin-1-iumyl]ethyl ester IUPAC Name: 2-[4-carbamoyl-5-ethyl-6-(phenylcarbamoyl)-1-propylpyridin-1-ium-3-yl]ethyl 3,4-dihydro-2H-quinoline-1-carboxylate Traditional Name: 3,4-dihydro-2H-quinoline-1-carboxylic acid 2-[4-carbamoyl-5-ethyl-6-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl ester Formula: C30H35N4O4+ MolecularWeight: 515.6233

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(C(=C(C(=C1)CCOC(=O)N2CCCC3=CC=CC=C32)C(=O)N)CC)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CCC[N+]1=C(C(=C(C(=C1)CCOC(=O)N2CCCC3=CC=CC=C32)C(=O)N)CC)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C30H34N4O4/c1-3-17-33-20-22(16-19-38-30(37)34-18-10-12-21-11-8-9-15-25(21)34)26(28(31)35)24(4-2)27(33)29(36)32-23-13-6-5-7-14-23/h5-9,11,13-15,20H,3-4,10,12,16-19H2,1-2H3,(H2-,31,32,35,36)/p+1