2-[3-(2-aminocarbonyloxyethyl)-2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-4-yl]ethyl morpholine-4-carboxylate

Systemtic Name: 2-[3-(2-aminocarbonyloxyethyl)-2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-4-yl]ethyl morpholine-4-carboxylate Openeye Name: 2-[3-(2-carbamoyloxyethyl)-2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-4-yl]ethyl morpholine-4-carboxylate CAS Name: 4-morpholinecarboxylic acid 2-[2-[anilino(oxo)methyl]-3-(2-carbamoyloxyethyl)-1-propyl-4-pyridin-1-iumyl]ethyl ester IUPAC Name: 2-[3-(2-carbamoyloxyethyl)-2-(phenylcarbamoyl)-1-propylpyridin-1-ium-4-yl]ethyl morpholine-4-carboxylate Traditional Name: morpholine-4-carboxylic acid 2-[3-(2-carbamoyloxyethyl)-2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-4-yl]ethyl ester Formula: C25H33N4O6+ MolecularWeight: 485.55272

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(C(=C(C=C1)CCOC(=O)N2CCOCC2)CCOC(=O)N)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCC[N+]1=C(C(=C(C=C1)CCOC(=O)N2CCOCC2)CCOC(=O)N)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C25H32N4O6/c1-2-11-28-12-8-19(9-15-35-25(32)29-13-17-33-18-14-29)21(10-16-34-24(26)31)22(28)23(30)27-20-6-4-3-5-7-20/h3-8,12H,2,9-11,13-18H2,1H3,(H2-,26,27,30,31)/p+1