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

Systemtic Name: 2-azanyl-4-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(3-bromophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Formula: C17H17BrN3+ MolecularWeight: 343.24098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrN3/c18-12-6-4-5-11(9-12)16-13-7-2-1-3-8-15(13)21-17(20)14(16)10-19/h4-6,9H,1-3,7-8H2,(H2,20,21)/p+1