4-methyl-3-oxidanylidene-4-propyl-2,5-dihydro-1H-1,4-benzodiazepin-4-ium-7-carboxylate

Systemtic Name: 4-methyl-3-oxidanylidene-4-propyl-2,5-dihydro-1H-1,4-benzodiazepin-4-ium-7-carboxylate Openeye Name: 4-methyl-3-oxo-4-propyl-2,5-dihydro-1H-1,4-benzodiazepin-4-ium-7-carboxylate CAS Name: 4-methyl-3-oxo-4-propyl-2,5-dihydro-1H-1,4-benzodiazepin-4-ium-7-carboxylate IUPAC Name: 4-methyl-3-oxo-4-propyl-2,5-dihydro-1H-1,4-benzodiazepin-4-ium-7-carboxylate Traditional Name: 3-keto-4-methyl-4-propyl-2,5-dihydro-1H-1,4-benzodiazepin-4-ium-7-carboxylate Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CC2=C(C=CC(=C2)C(=O)[O-])NCC1=O)C

Isomeric SMILES

CCC[N+]1(CC2=C(C=CC(=C2)C(=O)[O-])NCC1=O)C

InChI

InChI=1S/C14H18N2O3/c1-3-6-16(2)9-11-7-10(14(18)19)4-5-12(11)15-8-13(16)17/h4-5,7,15H,3,6,8-9H2,1-2H3