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

Systemtic Name: 2-[4-[4-(4-chloranyl-3-methyl-phenoxy)butanoyl]piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[4-(4-chloro-3-methyl-phenoxy)butanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[4-(4-chloro-3-methylphenoxy)-1-oxobutyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[4-(4-chloro-3-methylphenoxy)butanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[4-(4-chloro-3-methyl-phenoxy)butanoyl]piperazin-1-ium-1-yl]acetamide Formula: C24H31ClN3O3+ MolecularWeight: 444.97424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3)Cl

InChI

InChI=1S/C24H30ClN3O3/c1-19-16-21(9-10-22(19)25)31-15-5-8-24(30)28-13-11-27(12-14-28)18-23(29)26-17-20-6-3-2-4-7-20/h2-4,6-7,9-10,16H,5,8,11-15,17-18H2,1H3,(H,26,29)/p+1