4-chloranyl-2-[[4-(hydroxymethyl)-4-(2-phenoxyethyl)piperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 4-chloranyl-2-[[4-(hydroxymethyl)-4-(2-phenoxyethyl)piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 4-chloro-2-[[4-(hydroxymethyl)-4-(2-phenoxyethyl)piperidin-1-ium-1-yl]methyl]phenol CAS Name: 4-chloro-2-[[4-(hydroxymethyl)-4-(2-phenoxyethyl)-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 4-chloro-2-[[4-(hydroxymethyl)-4-(2-phenoxyethyl)piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 4-chloro-2-[[4-methylol-4-(2-phenoxyethyl)piperidin-1-ium-1-yl]methyl]phenol Formula: C21H27ClNO3+ MolecularWeight: 376.89698

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(CCOC2=CC=CC=C2)CO)CC3=C(C=CC(=C3)Cl)O

Isomeric SMILES

C1C[NH+](CCC1(CCOC2=CC=CC=C2)CO)CC3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C21H26ClNO3/c22-18-6-7-20(25)17(14-18)15-23-11-8-21(16-24,9-12-23)10-13-26-19-4-2-1-3-5-19/h1-7,14,24-25H,8-13,15-16H2/p+1