N-(3-chloranyl-2-methyl-phenyl)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(3-chloro-2-methyl-phenyl)acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(3-chloro-2-methylphenyl)acetamide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(3-chloro-2-methyl-phenyl)acetamide Formula: C20H25ClN3O+ MolecularWeight: 358.885

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H24ClN3O/c1-16-18(21)8-5-9-19(16)22-20(25)15-24-12-10-23(11-13-24)14-17-6-3-2-4-7-17/h2-9H,10-15H2,1H3,(H,22,25)/p+1