N-(2-chlorophenyl)-2-[4-[3-(3-methoxyphenyl)propanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[4-[3-(3-methoxyphenyl)propanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-[3-(3-methoxyphenyl)propanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[3-(3-methoxyphenyl)-1-oxopropyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-[3-(3-methoxyphenyl)propanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-[3-(3-methoxyphenyl)propanoyl]piperazin-1-ium-1-yl]acetamide Formula: C22H27ClN3O3+ MolecularWeight: 416.92108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

COC1=CC=CC(=C1)CCC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C22H26ClN3O3/c1-29-18-6-4-5-17(15-18)9-10-22(28)26-13-11-25(12-14-26)16-21(27)24-20-8-3-2-7-19(20)23/h2-8,15H,9-14,16H2,1H3,(H,24,27)/p+1