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

Systemtic Name: 2-azanyl-4-(5-butyl-4-nitro-thiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(5-butyl-4-nitro-2-thienyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(5-butyl-4-nitro-2-thiophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-(5-butyl-4-nitrothiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(5-butyl-4-nitro-2-thienyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile Formula: C19H23N4O2S+ MolecularWeight: 371.47652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O2S/c1-2-3-9-16-15(23(24)25)10-17(26-16)18-12-7-5-4-6-8-14(12)22-19(21)13(18)11-20/h10H,2-9H2,1H3,(H2,21,22)/p+1