6,7-dimethyl-4-oxidanyl-5-phenyl-3,5-dihydro-1H-pyrrolo[3,4-e][1,4]diazepin-1-ium-2-one chloride

Systemtic Name: 6,7-dimethyl-4-oxidanyl-5-phenyl-3,5-dihydro-1H-pyrrolo[3,4-e][1,4]diazepin-1-ium-2-one chloride Openeye Name: 4-hydroxy-6,7-dimethyl-5-phenyl-3,5-dihydro-1H-pyrrolo[3,4-e][1,4]diazepin-1-ium-2-one chloride CAS Name: 4-hydroxy-6,7-dimethyl-5-phenyl-3,5-dihydro-1H-pyrrolo[3,4-e][1,4]diazepin-1-ium-2-one chloride IUPAC Name: 4-hydroxy-6,7-dimethyl-5-phenyl-3,5-dihydro-1H-pyrrolo[3,4-e][1,4]diazepin-1-ium-2-one chloride Traditional Name: 4-hydroxy-6,7-dimethyl-5-phenyl-3,5-dihydro-1H-pyrrolo[3,4-e][1,4]diazepin-1-ium-2-one chloride Formula: C15H18ClN3O2 MolecularWeight: 307.77532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(N(CC(=O)[NH2+]C2=CN1C)O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC1=C2C(N(CC(=O)[NH2+]C2=CN1C)O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C15H17N3O2.ClH/c1-10-14-12(8-17(10)2)16-13(19)9-18(20)15(14)11-6-4-3-5-7-11;/h3-8,15,20H,9H2,1-2H3,(H,16,19);1H