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

Systemtic Name: 2-azanyl-4-(5-methyl-4-nitro-thiophen-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(5-methyl-4-nitro-2-thienyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(5-methyl-4-nitro-2-thiophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-(5-methyl-4-nitrothiophen-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(5-methyl-4-nitro-2-thienyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile Formula: C17H19N4O2S+ MolecularWeight: 343.42336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C2=C(C(=[NH+]C3=C2CCCCCC3)N)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(S1)C2=C(C(=[NH+]C3=C2CCCCCC3)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O2S/c1-10-14(21(22)23)8-15(24-10)16-11-6-4-2-3-5-7-13(11)20-17(19)12(16)9-18/h8H,2-7H2,1H3,(H2,19,20)/p+1