3-[7-[3-(methoxymethyl)pyrrol-1-yl]-4-oxidanylidene-3,5-dihydro-1,4-benzodiazepin-4-ium-2-yl]benzenecarbonitrile

Systemtic Name: 3-[7-[3-(methoxymethyl)pyrrol-1-yl]-4-oxidanylidene-3,5-dihydro-1,4-benzodiazepin-4-ium-2-yl]benzenecarbonitrile Openeye Name: 3-[7-[3-(methoxymethyl)pyrrol-1-yl]-4-oxo-3,5-dihydro-1,4-benzodiazepin-4-ium-2-yl]benzonitrile CAS Name: 3-[7-[3-(methoxymethyl)-1-pyrrolyl]-4-oxo-3,5-dihydro-1,4-benzodiazepin-4-ium-2-yl]benzonitrile IUPAC Name: 3-[7-[3-(methoxymethyl)pyrrol-1-yl]-4-oxo-3,5-dihydro-1,4-benzodiazepin-4-ium-2-yl]benzonitrile Traditional Name: 3-[4-keto-7-[3-(methoxymethyl)pyrrol-1-yl]-3,5-dihydro-1,4-benzodiazepin-4-ium-2-yl]benzonitrile Formula: C22H19N4O2+ MolecularWeight: 371.41186

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CN(C=C1)C2=CC3=C(C=C2)N=C(C[N+](=O)C3)C4=CC=CC(=C4)C#N

Isomeric SMILES

COCC1=CN(C=C1)C2=CC3=C(C=C2)N=C(C[N+](=O)C3)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H19N4O2/c1-28-15-17-7-8-25(12-17)20-5-6-21-19(10-20)13-26(27)14-22(24-21)18-4-2-3-16(9-18)11-23/h2-10,12H,13-15H2,1H3/q+1