(4S)-5-propan-2-yl-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-carboxylate

Systemtic Name: (4S)-5-propan-2-yl-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-carboxylate Openeye Name: (4S)-5-isopropyl-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-carboxylate CAS Name: (4S)-5-propan-2-yl-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-carboxylate IUPAC Name: (4S)-5-propan-2-yl-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-carboxylate Traditional Name: (4S)-5-isopropyl-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-carboxylate Formula: C16H18N2O2 MolecularWeight: 270.32632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CC2=CC=CC=C2N3C=CC=C3C1C(=O)[O-]

Isomeric SMILES

CC(C)[NH+]1CC2=CC=CC=C2N3C=CC=C3[C@H]1C(=O)[O-]

InChI

InChI=1S/C16H18N2O2/c1-11(2)18-10-12-6-3-4-7-13(12)17-9-5-8-14(17)15(18)16(19)20/h3-9,11,15H,10H2,1-2H3,(H,19,20)/t15-/m0/s1