methyl 3-[3-[bis(azanyl)methylideneamino]propyl]-2-oxidanylidene-1-(phenylcarbamoyl)azetidin-1-ium-1-carboxylate

Systemtic Name: methyl 3-[3-[bis(azanyl)methylideneamino]propyl]-2-oxidanylidene-1-(phenylcarbamoyl)azetidin-1-ium-1-carboxylate Openeye Name: methyl 3-(3-guanidinopropyl)-2-oxo-1-(phenylcarbamoyl)azetidin-1-ium-1-carboxylate CAS Name: 1-[anilino(oxo)methyl]-3-[3-(diaminomethylideneamino)propyl]-2-oxo-1-azetidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-[3-(diaminomethylideneamino)propyl]-2-oxo-1-(phenylcarbamoyl)azetidin-1-ium-1-carboxylate Traditional Name: 3-(3-guanidinopropyl)-2-keto-1-(phenylcarbamoyl)azetidin-1-ium-1-carboxylic acid methyl ester Formula: C16H22N5O4+ MolecularWeight: 348.37698

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)[N+]1(CC(C1=O)CCCN=C(N)N)C(=O)NC2=CC=CC=C2

Isomeric SMILES

COC(=O)[N+]1(CC(C1=O)CCCN=C(N)N)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C16H21N5O4/c1-25-16(24)21(15(23)20-12-7-3-2-4-8-12)10-11(13(21)22)6-5-9-19-14(17)18/h2-4,7-8,11H,5-6,9-10H2,1H3,(H4-,17,18,19,20,23)/p+1