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

Systemtic Name: 2-azanyl-4-(2,5-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(2,5-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(2,5-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-(2,5-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(2,5-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Formula: C19H22N3+ MolecularWeight: 292.39808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=C(C(=[NH+]C3=C2CCCCC3)N)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=C(C(=[NH+]C3=C2CCCCC3)N)C#N

InChI

InChI=1S/C19H21N3/c1-12-8-9-13(2)15(10-12)18-14-6-4-3-5-7-17(14)22-19(21)16(18)11-20/h8-10H,3-7H2,1-2H3,(H2,21,22)/p+1