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

Systemtic Name: 2-azanyl-4-(5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(5-methyl-2-thienyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(5-methyl-2-thiophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-(5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(5-methyl-2-thienyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Formula: C16H18N3S+ MolecularWeight: 284.39922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3S/c1-10-7-8-14(20-10)15-11-5-3-2-4-6-13(11)19-16(18)12(15)9-17/h7-8H,2-6H2,1H3,(H2,18,19)/p+1