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

Systemtic Name: 2-azanyl-4-(4-bromanyl-5-methyl-thiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(4-bromo-5-methyl-2-thienyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(4-bromo-5-methyl-2-thiophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-(4-bromo-5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(4-bromo-5-methyl-2-thienyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Formula: C16H17BrN3S+ MolecularWeight: 363.29528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C2=C(C(=[NH+]C3=C2CCCCC3)N)C#N)Br

Isomeric SMILES

CC1=C(C=C(S1)C2=C(C(=[NH+]C3=C2CCCCC3)N)C#N)Br

InChI

InChI=1S/C16H16BrN3S/c1-9-12(17)7-14(21-9)15-10-5-3-2-4-6-13(10)20-16(19)11(15)8-18/h7H,2-6H2,1H3,(H2,19,20)/p+1