2-azanyl-4-(4-chloranyl-3-nitro-phenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-4-(4-chloranyl-3-nitro-phenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(4-chloro-3-nitro-phenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(4-chloro-3-nitrophenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-(4-chloro-3-nitrophenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(4-chloro-3-nitro-phenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Formula: C16H14ClN4O2+ MolecularWeight: 329.76096

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(C(=[NH+]2)N)C#N)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=C(C(=[NH+]2)N)C#N)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClN4O2/c17-12-6-5-9(7-14(12)21(22)23)15-10-3-1-2-4-13(10)20-16(19)11(15)8-18/h5-7H,1-4H2,(H2,19,20)/p+1