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

Systemtic Name: 2-azanyl-4-[5-[(4-bromanylphenoxy)methyl]furan-2-yl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-[5-[(4-bromophenoxy)methyl]-2-furyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-[5-[(4-bromophenoxy)methyl]-2-furanyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-[5-[(4-bromophenoxy)methyl]furan-2-yl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-[5-[(4-bromophenoxy)methyl]-2-furyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile Formula: C23H23BrN3O2+ MolecularWeight: 453.35162

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC2=C(CC1)C(=C(C(=[NH+]2)N)C#N)C3=CC=C(O3)COC4=CC=C(C=C4)Br

Isomeric SMILES

C1CCCC2=C(CC1)C(=C(C(=[NH+]2)N)C#N)C3=CC=C(O3)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H22BrN3O2/c24-15-7-9-16(10-8-15)28-14-17-11-12-21(29-17)22-18-5-3-1-2-4-6-20(18)27-23(26)19(22)13-25/h7-12H,1-6,14H2,(H2,26,27)/p+1