2-[[4-(azepan-1-ium-1-yl)piperidin-1-ium-1-yl]methyl]-4-bromanyl-phenol

Systemtic Name: 2-[[4-(azepan-1-ium-1-yl)piperidin-1-ium-1-yl]methyl]-4-bromanyl-phenol Openeye Name: 2-[[4-(azepan-1-ium-1-yl)piperidin-1-ium-1-yl]methyl]-4-bromo-phenol CAS Name: 2-[[4-(1-azepan-1-iumyl)-1-piperidin-1-iumyl]methyl]-4-bromophenol IUPAC Name: 2-[[4-(azepan-1-ium-1-yl)piperidin-1-ium-1-yl]methyl]-4-bromophenol Traditional Name: 2-[[4-(azepan-1-ium-1-yl)piperidin-1-ium-1-yl]methyl]-4-bromo-phenol Formula: C18H29BrN2O+2 MolecularWeight: 369.33966

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)O

Isomeric SMILES

C1CCC[NH+](CC1)C2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C18H27BrN2O/c19-16-5-6-18(22)15(13-16)14-20-11-7-17(8-12-20)21-9-3-1-2-4-10-21/h5-6,13,17,22H,1-4,7-12,14H2/p+2