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

Systemtic Name: 2-azanyl-4-(3-phenoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(3-phenoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(3-phenoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-(3-phenoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(3-phenoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Formula: C23H22N3O+ MolecularWeight: 356.44028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)[NH+]=C(C(=C2C3=CC(=CC=C3)OC4=CC=CC=C4)C#N)N

Isomeric SMILES

C1CCC2=C(CC1)[NH+]=C(C(=C2C3=CC(=CC=C3)OC4=CC=CC=C4)C#N)N

InChI

InChI=1S/C23H21N3O/c24-15-20-22(19-12-5-2-6-13-21(19)26-23(20)25)16-8-7-11-18(14-16)27-17-9-3-1-4-10-17/h1,3-4,7-11,14H,2,5-6,12-13H2,(H2,25,26)/p+1