3-(3-methyl-1-phenethyl-4-propyl-piperidin-1-ium-1-yl)phenol hydrobromide

Systemtic Name: 3-(3-methyl-1-phenethyl-4-propyl-piperidin-1-ium-1-yl)phenol hydrobromide Openeye Name: 3-(3-methyl-1-phenethyl-4-propyl-piperidin-1-ium-1-yl)phenol hydrobromide CAS Name: 3-(3-methyl-1-phenethyl-4-propyl-1-piperidin-1-iumyl)phenol hydrobromide IUPAC Name: 3-(3-methyl-1-phenethyl-4-propylpiperidin-1-ium-1-yl)phenol hydrobromide Traditional Name: 3-(3-methyl-1-phenethyl-4-propyl-piperidin-1-ium-1-yl)phenol hydrobromide Formula: C23H33BrNO+ MolecularWeight: 419.41822

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CC[N+](CC1C)(CCC2=CC=CC=C2)C3=CC(=CC=C3)O.Br

Isomeric SMILES

CCCC1CC[N+](CC1C)(CCC2=CC=CC=C2)C3=CC(=CC=C3)O.Br

InChI

InChI=1S/C23H31NO.BrH/c1-3-8-21-14-16-24(18-19(21)2,22-11-7-12-23(25)17-22)15-13-20-9-5-4-6-10-20;/h4-7,9-12,17,19,21H,3,8,13-16,18H2,1-2H3;1H/p+1