2-[[1-(2-oxidanylidene-2-phenylazanyl-ethyl)pyridin-1-ium-4-yl]carbonylamino]ethyl benzoate

Systemtic Name: 2-[[1-(2-oxidanylidene-2-phenylazanyl-ethyl)pyridin-1-ium-4-yl]carbonylamino]ethyl benzoate Openeye Name: 2-[[1-(2-anilino-2-oxo-ethyl)pyridin-1-ium-4-carbonyl]amino]ethyl benzoate CAS Name: benzoic acid 2-[[[1-(2-anilino-2-oxoethyl)-4-pyridin-1-iumyl]-oxomethyl]amino]ethyl ester IUPAC Name: 2-[[1-(2-anilino-2-oxoethyl)pyridin-1-ium-4-carbonyl]amino]ethyl benzoate Traditional Name: benzoic acid 2-[[1-(2-anilino-2-keto-ethyl)pyridin-1-ium-4-carbonyl]amino]ethyl ester Formula: C23H22N3O4+ MolecularWeight: 404.43848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCNC(=O)C2=CC=[N+](C=C2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCNC(=O)C2=CC=[N+](C=C2)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H21N3O4/c27-21(25-20-9-5-2-6-10-20)17-26-14-11-18(12-15-26)22(28)24-13-16-30-23(29)19-7-3-1-4-8-19/h1-12,14-15H,13,16-17H2,(H-,24,25,27,28)/p+1