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

Systemtic Name: 2-azanyl-4-(2,3,4-trimethoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(2,3,4-trimethoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(2,3,4-trimethoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-(2,3,4-trimethoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(2,3,4-trimethoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Formula: C20H24N3O3+ MolecularWeight: 354.42286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C2=C(C(=[NH+]C3=C2CCCCC3)N)C#N)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C2=C(C(=[NH+]C3=C2CCCCC3)N)C#N)OC)OC

InChI

InChI=1S/C20H23N3O3/c1-24-16-10-9-13(18(25-2)19(16)26-3)17-12-7-5-4-6-8-15(12)23-20(22)14(17)11-21/h9-10H,4-8H2,1-3H3,(H2,22,23)/p+1