phenyl N-(1H-1,3-diazepin-3-ium-7-yl)carbamate

Systemtic Name: phenyl N-(1H-1,3-diazepin-3-ium-7-yl)carbamate Openeye Name: phenyl N-(1H-1,3-diazepin-3-ium-7-yl)carbamate CAS Name: N-(1H-1,3-diazepin-3-ium-7-yl)carbamic acid phenyl ester IUPAC Name: phenyl N-(1H-1,3-diazepin-3-ium-7-yl)carbamate Traditional Name: N-(1H-1,3-diazepin-3-ium-7-yl)carbamic acid phenyl ester Formula: C12H12N3O2+ MolecularWeight: 230.24258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)NC2=CC=C[NH+]=CN2

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)NC2=CC=C[NH+]=CN2

InChI

InChI=1S/C12H11N3O2/c16-12(17-10-5-2-1-3-6-10)15-11-7-4-8-13-9-14-11/h1-9H,(H,13,14)(H,15,16)/p+1