2-azanyl-4-(5-ethyl-4-nitro-thiophen-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-4-(5-ethyl-4-nitro-thiophen-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(5-ethyl-4-nitro-2-thienyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(5-ethyl-4-nitro-2-thiophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-(5-ethyl-4-nitrothiophen-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(5-ethyl-4-nitro-2-thienyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile Formula: C18H21N4O2S+ MolecularWeight: 357.44994

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C2=C(C(=[NH+]C3=C2CCCCCC3)N)C#N)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(S1)C2=C(C(=[NH+]C3=C2CCCCCC3)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O2S/c1-2-15-14(22(23)24)9-16(25-15)17-11-7-5-3-4-6-8-13(11)21-18(20)12(17)10-19/h9H,2-8H2,1H3,(H2,20,21)/p+1