2-[4-[4-(4-chloranyl-2-methyl-phenoxy)butanoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[4-(4-chloranyl-2-methyl-phenoxy)butanoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[4-(4-chloro-2-methyl-phenoxy)butanoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[4-(4-chloro-2-methylphenoxy)-1-oxobutyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[4-(4-chloro-2-methylphenoxy)butanoyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[4-(4-chloro-2-methyl-phenoxy)butanoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C20H29ClN3O3+ MolecularWeight: 394.91556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCCCC(=O)N2CC[NH+](CC2)CC(=O)NC3CC3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCCCC(=O)N2CC[NH+](CC2)CC(=O)NC3CC3

InChI

InChI=1S/C20H28ClN3O3/c1-15-13-16(21)4-7-18(15)27-12-2-3-20(26)24-10-8-23(9-11-24)14-19(25)22-17-5-6-17/h4,7,13,17H,2-3,5-6,8-12,14H2,1H3,(H,22,25)/p+1