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

Systemtic Name: 2-azanyl-4-pyridin-1-ium-3-yl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-pyridin-1-ium-3-yl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(3-pyridin-1-iumyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-pyridin-1-ium-3-yl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-pyridin-1-ium-3-yl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile Formula: C17H20N4+2 MolecularWeight: 280.3675

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4/c18-10-14-16(12-6-5-9-20-11-12)13-7-3-1-2-4-8-15(13)21-17(14)19/h5-6,9,11H,1-4,7-8H2,(H2,19,21)/p+2