4-bromanyl-2-[[4-[phenethyl-(phenylmethyl)amino]piperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 4-bromanyl-2-[[4-[phenethyl-(phenylmethyl)amino]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 2-[[4-[benzyl(phenethyl)amino]piperidin-1-ium-1-yl]methyl]-4-bromo-phenol CAS Name: 4-bromo-2-[[4-[phenethyl-(phenylmethyl)amino]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 2-[[4-[benzyl(phenethyl)amino]piperidin-1-ium-1-yl]methyl]-4-bromophenol Traditional Name: 2-[[4-[benzyl(phenethyl)amino]piperidin-1-ium-1-yl]methyl]-4-bromo-phenol Formula: C27H32BrN2O+ MolecularWeight: 480.45978

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N(CCC2=CC=CC=C2)CC3=CC=CC=C3)CC4=C(C=CC(=C4)Br)O

Isomeric SMILES

C1C[NH+](CCC1N(CCC2=CC=CC=C2)CC3=CC=CC=C3)CC4=C(C=CC(=C4)Br)O

InChI

InChI=1S/C27H31BrN2O/c28-25-11-12-27(31)24(19-25)21-29-16-14-26(15-17-29)30(20-23-9-5-2-6-10-23)18-13-22-7-3-1-4-8-22/h1-12,19,26,31H,13-18,20-21H2/p+1