N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C20H25ClN3O2+ MolecularWeight: 374.8844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O2/c1-15-12-18(19(26-2)13-17(15)21)22-20(25)14-23-8-10-24(11-9-23)16-6-4-3-5-7-16/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,25)/p+1