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

Systemtic Name: 2-azanyl-4-(5-tert-butylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(5-tert-butyl-2-thienyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(5-tert-butyl-2-thiophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-(5-tert-butylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(5-tert-butyl-2-thienyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Formula: C19H24N3S+ MolecularWeight: 326.47896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(S1)C2=C(C(=[NH+]C3=C2CCCCC3)N)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(S1)C2=C(C(=[NH+]C3=C2CCCCC3)N)C#N

InChI

InChI=1S/C19H23N3S/c1-19(2,3)16-10-9-15(23-16)17-12-7-5-4-6-8-14(12)22-18(21)13(17)11-20/h9-10H,4-8H2,1-3H3,(H2,21,22)/p+1