4-chloranyl-2-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 4-chloranyl-2-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 4-chloro-2-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-ium-1-yl]methyl]phenol CAS Name: 4-chloro-2-[[4-(hydroxymethyl)-4-(3-phenylpropyl)-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 4-chloro-2-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 4-chloro-2-[[4-methylol-4-(3-phenylpropyl)piperidin-1-ium-1-yl]methyl]phenol Formula: C22H29ClNO2+ MolecularWeight: 374.92416

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(CCCC2=CC=CC=C2)CO)CC3=C(C=CC(=C3)Cl)O

Isomeric SMILES

C1C[NH+](CCC1(CCCC2=CC=CC=C2)CO)CC3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C22H28ClNO2/c23-20-8-9-21(26)19(15-20)16-24-13-11-22(17-25,12-14-24)10-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-9,15,25-26H,4,7,10-14,16-17H2/p+1