N-(5-acetamido-2-methoxy-phenyl)-2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-acetamido-2-methoxy-phenyl)-2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-acetamido-2-methoxy-phenyl)-2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-acetamido-2-methoxyphenyl)-2-[4-(4-chlorophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-acetamido-2-methoxyphenyl)-2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-acetamido-2-methoxy-phenyl)-2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H26ClN4O3+ MolecularWeight: 417.90914

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN4O3/c1-15(27)23-17-5-8-20(29-2)19(13-17)24-21(28)14-25-9-11-26(12-10-25)18-6-3-16(22)4-7-18/h3-8,13H,9-12,14H2,1-2H3,(H,23,27)(H,24,28)/p+1