4-[(4R)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl]benzenecarbonitrile

Systemtic Name: 4-[(4R)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl]benzenecarbonitrile Openeye Name: 4-[(4R)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl]benzonitrile CAS Name: 4-[(4R)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl]benzonitrile IUPAC Name: 4-[(4R)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl]benzonitrile Traditional Name: 4-[(4R)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl]benzonitrile Formula: C19H16N3+ MolecularWeight: 286.35044

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2N3C=CC=C3C([NH2+]1)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1C2=CC=CC=C2N3C=CC=C3[C@H]([NH2+]1)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C19H15N3/c20-12-14-7-9-15(10-8-14)19-18-6-3-11-22(18)17-5-2-1-4-16(17)13-21-19/h1-11,19,21H,13H2/p+1/t19-/m1/s1