2-azanyl-4-(3-nitrophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3-nitrophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(3-nitrophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(3-nitrophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-(3-nitrophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(3-nitrophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile Formula: C18H19N4O2+ MolecularWeight: 323.36906

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC2=C(CC1)C(=C(C(=[NH+]2)N)C#N)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCC2=C(CC1)C(=C(C(=[NH+]2)N)C#N)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O2/c19-11-15-17(12-6-5-7-13(10-12)22(23)24)14-8-3-1-2-4-9-16(14)21-18(15)20/h5-7,10H,1-4,8-9H2,(H2,20,21)/p+1