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

Systemtic Name: 2-azanyl-4-(4-bromanyl-5-butyl-thiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(4-bromo-5-butyl-2-thienyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(4-bromo-5-butyl-2-thiophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-(4-bromo-5-butylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(4-bromo-5-butyl-2-thienyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Formula: C19H23BrN3S+ MolecularWeight: 405.37502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(S1)C2=C(C(=[NH+]C3=C2CCCCC3)N)C#N)Br

Isomeric SMILES

CCCCC1=C(C=C(S1)C2=C(C(=[NH+]C3=C2CCCCC3)N)C#N)Br

InChI

InChI=1S/C19H22BrN3S/c1-2-3-9-16-14(20)10-17(24-16)18-12-7-5-4-6-8-15(12)23-19(22)13(18)11-21/h10H,2-9H2,1H3,(H2,22,23)/p+1