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

Systemtic Name: 2-azanyl-4-(4-bromanyl-5-ethyl-thiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(4-bromo-5-ethyl-2-thienyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(4-bromo-5-ethyl-2-thiophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-(4-bromo-5-ethylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(4-bromo-5-ethyl-2-thienyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Formula: C17H19BrN3S+ MolecularWeight: 377.32186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrN3S/c1-2-14-12(18)8-15(22-14)16-10-6-4-3-5-7-13(10)21-17(20)11(16)9-19/h8H,2-7H2,1H3,(H2,20,21)/p+1