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

Systemtic Name: 2-azanyl-4-(5-ethylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(5-ethyl-2-thienyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(5-ethyl-2-thiophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-(5-ethylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(5-ethyl-2-thienyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Formula: C17H20N3S+ MolecularWeight: 298.4258

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2=C(C(=[NH+]C3=C2CCCCC3)N)C#N

Isomeric SMILES

CCC1=CC=C(S1)C2=C(C(=[NH+]C3=C2CCCCC3)N)C#N

InChI

InChI=1S/C17H19N3S/c1-2-11-8-9-15(21-11)16-12-6-4-3-5-7-14(12)20-17(19)13(16)10-18/h8-9H,2-7H2,1H3,(H2,19,20)/p+1