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

Systemtic Name: 2-azanyl-4-thiophen-3-yl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(3-thienyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(3-thiophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-thiophen-3-yl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(3-thienyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile Formula: C16H18N3S+ MolecularWeight: 284.39922

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC2=C(CC1)C(=C(C(=[NH+]2)N)C#N)C3=CSC=C3

Isomeric SMILES

C1CCCC2=C(CC1)C(=C(C(=[NH+]2)N)C#N)C3=CSC=C3

InChI

InChI=1S/C16H17N3S/c17-9-13-15(11-7-8-20-10-11)12-5-3-1-2-4-6-14(12)19-16(13)18/h7-8,10H,1-6H2,(H2,18,19)/p+1