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

Systemtic Name: 2-azanyl-4-(4-bromanyl-5-ethyl-thiophen-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(4-bromo-5-ethyl-2-thienyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(4-bromo-5-ethyl-2-thiophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-(4-bromo-5-ethylthiophen-2-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(4-bromo-5-ethyl-2-thienyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile Formula: C18H21BrN3S+ MolecularWeight: 391.34844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN3S/c1-2-15-13(19)9-16(23-15)17-11-7-5-3-4-6-8-14(11)22-18(21)12(17)10-20/h9H,2-8H2,1H3,(H2,21,22)/p+1