ethyl 3-[[1-(1-azanylpyrrol-1-ium-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylate

Systemtic Name: ethyl 3-[[1-(1-azanylpyrrol-1-ium-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylate Openeye Name: ethyl 3-[[2-(1-aminopyrrol-1-ium-1-yl)-1-benzyl-2-oxo-ethyl]carbamoyl]aziridine-2-carboxylate CAS Name: 3-[[[1-(1-amino-1-pyrrol-1-iumyl)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[1-(1-aminopyrrol-1-ium-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylate Traditional Name: 3-[[2-(1-aminopyrrol-1-ium-1-yl)-1-benzyl-2-keto-ethyl]carbamoyl]ethylenimine-2-carboxylic acid ethyl ester Formula: C19H23N4O4+ MolecularWeight: 371.41032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1)C(=O)NC(CC2=CC=CC=C2)C(=O)[N+]3(C=CC=C3)N

Isomeric SMILES

CCOC(=O)C1C(N1)C(=O)NC(CC2=CC=CC=C2)C(=O)[N+]3(C=CC=C3)N

InChI

InChI=1S/C19H22N4O4/c1-2-27-19(26)16-15(22-16)17(24)21-14(12-13-8-4-3-5-9-13)18(25)23(20)10-6-7-11-23/h3-11,14-16,22H,2,12,20H2,1H3/p+1