2-azanyl-4-pyridin-1-ium-3-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-4-pyridin-1-ium-3-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-pyridin-1-ium-3-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(3-pyridin-1-iumyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-pyridin-1-ium-3-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-pyridin-1-ium-3-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Formula: C16H18N4+2 MolecularWeight: 266.34092

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)[NH+]=C(C(=C2C3=C[NH+]=CC=C3)C#N)N

Isomeric SMILES

C1CCC2=C(CC1)[NH+]=C(C(=C2C3=C[NH+]=CC=C3)C#N)N

InChI

InChI=1S/C16H16N4/c17-9-13-15(11-5-4-8-19-10-11)12-6-2-1-3-7-14(12)20-16(13)18/h4-5,8,10H,1-3,6-7H2,(H2,18,20)/p+2