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

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

CCCCC1=CC=C(S1)C2=C(C(=[NH+]C3=C2CCCCC3)N)C#N

Isomeric SMILES

CCCCC1=CC=C(S1)C2=C(C(=[NH+]C3=C2CCCCC3)N)C#N

InChI

InChI=1S/C19H23N3S/c1-2-3-7-13-10-11-17(23-13)18-14-8-5-4-6-9-16(14)22-19(21)15(18)12-20/h10-11H,2-9H2,1H3,(H2,21,22)/p+1