2-[4-[4-(4-chloranyl-3-methyl-phenoxy)butanoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[4-(4-chloranyl-3-methyl-phenoxy)butanoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[4-(4-chloro-3-methyl-phenoxy)butanoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[4-(4-chloro-3-methylphenoxy)-1-oxobutyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[4-(4-chloro-3-methylphenoxy)butanoyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[4-(4-chloro-3-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)OCCCC(=O)N2CC[NH+](CC2)CC(=O)NC3CC3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H28ClN3O3/c1-15-13-17(6-7-18(15)21)27-12-2-3-20(26)24-10-8-23(9-11-24)14-19(25)22-16-4-5-16/h6-7,13,16H,2-5,8-12,14H2,1H3,(H,22,25)/p+1