N-(2,4-dimethylphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide chloride

Systemtic Name: N-(2,4-dimethylphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide chloride Openeye Name: N-(2,4-dimethylphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide chloride CAS Name: N-(2,4-dimethylphenyl)-3-(4-phenyl-1-piperazin-1-iumyl)propanamide chloride IUPAC Name: N-(2,4-dimethylphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide chloride Traditional Name: N-(2,4-dimethylphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propionamide chloride Formula: C21H28ClN3O MolecularWeight: 373.91952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3)C.[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3)C.[Cl-]

InChI

InChI=1S/C21H27N3O.ClH/c1-17-8-9-20(18(2)16-17)22-21(25)10-11-23-12-14-24(15-13-23)19-6-4-3-5-7-19;/h3-9,16H,10-15H2,1-2H3,(H,22,25);1H