methyl 4-(2-azanyl-3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-4-yl)benzoate

Systemtic Name: methyl 4-(2-azanyl-3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-4-yl)benzoate Openeye Name: methyl 4-(2-amino-3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-4-yl)benzoate CAS Name: 4-(2-amino-3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-4-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(2-amino-3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-4-yl)benzoate Traditional Name: 4-(2-amino-3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-4-yl)benzoic acid methyl ester Formula: C19H20N3O2+ MolecularWeight: 322.381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O2/c1-24-19(23)13-9-7-12(8-10-13)17-14-5-3-2-4-6-16(14)22-18(21)15(17)11-20/h7-10H,2-6H2,1H3,(H2,21,22)/p+1