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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-(4-o-phenetylpiperazin-1-ium-1-yl)acetamide Formula: C21H27ClN3O2+ MolecularWeight: 388.91098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=C(C(=CC=C3)Cl)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=C(C(=CC=C3)Cl)C

InChI

InChI=1S/C21H26ClN3O2/c1-3-27-20-10-5-4-9-19(20)25-13-11-24(12-14-25)15-21(26)23-18-8-6-7-17(22)16(18)2/h4-10H,3,11-15H2,1-2H3,(H,23,26)/p+1