3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-N-(2-methylphenyl)propanamide chloride

Systemtic Name: 3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-N-(2-methylphenyl)propanamide chloride Openeye Name: 3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-N-(o-tolyl)propanamide chloride CAS Name: 3-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]-N-(2-methylphenyl)propanamide chloride IUPAC Name: 3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-N-(2-methylphenyl)propanamide chloride Traditional Name: 3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-N-(o-tolyl)propionamide chloride Formula: C16H26ClN3O2 MolecularWeight: 327.84954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CC[NH+]2CCN(CC2)CCO.[Cl-]

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CC[NH+]2CCN(CC2)CCO.[Cl-]

InChI

InChI=1S/C16H25N3O2.ClH/c1-14-4-2-3-5-15(14)17-16(21)6-7-18-8-10-19(11-9-18)12-13-20;/h2-5,20H,6-13H2,1H3,(H,17,21);1H