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

Systemtic Name: 2-azanyl-4-thiophen-3-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(3-thienyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(3-thiophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-thiophen-3-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(3-thienyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Formula: C15H16N3S+ MolecularWeight: 270.37264

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)[NH+]=C(C(=C2C3=CSC=C3)C#N)N

Isomeric SMILES

C1CCC2=C(CC1)[NH+]=C(C(=C2C3=CSC=C3)C#N)N

InChI

InChI=1S/C15H15N3S/c16-8-12-14(10-6-7-19-9-10)11-4-2-1-3-5-13(11)18-15(12)17/h6-7,9H,1-5H2,(H2,17,18)/p+1