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

Systemtic Name: 2-azanyl-4-(3-bromophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(3-bromophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(3-bromophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-(3-bromophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(3-bromophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-ium-3-carbonitrile Formula: C18H19BrN3+ MolecularWeight: 357.26756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3/c19-13-7-5-6-12(10-13)17-14-8-3-1-2-4-9-16(14)22-18(21)15(17)11-20/h5-7,10H,1-4,8-9H2,(H2,21,22)/p+1