N-(2,6-dimethylphenyl)-2-[4-[4-(4-methylphenoxy)butanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[4-(4-methylphenoxy)butanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[4-(4-methylphenoxy)butanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[4-(4-methylphenoxy)-1-oxobutyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[4-(4-methylphenoxy)butanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[4-(4-methylphenoxy)butanoyl]piperazin-1-ium-1-yl]acetamide Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCC(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CC1=CC=C(C=C1)OCCCC(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C25H33N3O3/c1-19-9-11-22(12-10-19)31-17-5-8-24(30)28-15-13-27(14-16-28)18-23(29)26-25-20(2)6-4-7-21(25)3/h4,6-7,9-12H,5,8,13-18H2,1-3H3,(H,26,29)/p+1