2-azanyl-1-(4-nitrophenyl)-5H-pyrido[3,2-b]indol-1-ium-3-carbonitrile chloride

Systemtic Name: 2-azanyl-1-(4-nitrophenyl)-5H-pyrido[3,2-b]indol-1-ium-3-carbonitrile chloride Openeye Name: 2-amino-1-(4-nitrophenyl)-5H-pyrido[3,2-b]indol-1-ium-3-carbonitrile chloride CAS Name: 2-amino-1-(4-nitrophenyl)-5H-pyrido[3,2-b]indol-1-ium-3-carbonitrile chloride IUPAC Name: 2-amino-1-(4-nitrophenyl)-5H-pyrido[3,2-b]indol-1-ium-3-carbonitrile chloride Traditional Name: 2-amino-1-(4-nitrophenyl)-5H-pyrid[3,2-b]indol-1-ium-3-carbonitrile chloride Formula: C18H12ClN5O2 MolecularWeight: 365.77318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(N2)C=C(C(=[N+]3C4=CC=C(C=C4)[N+](=O)[O-])N)C#N.[Cl-]

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N2)C=C(C(=[N+]3C4=CC=C(C=C4)[N+](=O)[O-])N)C#N.[Cl-]

InChI

InChI=1S/C18H11N5O2.ClH/c19-10-11-9-16-17(14-3-1-2-4-15(14)21-16)22(18(11)20)12-5-7-13(8-6-12)23(24)25;/h1-9H,(H2,20,21);1H