N-cyclopropyl-2-[4-[4-(4-ethanoylphenoxy)butanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[4-(4-ethanoylphenoxy)butanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[4-(4-acetylphenoxy)butanoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[4-(4-acetylphenoxy)-1-oxobutyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[4-(4-acetylphenoxy)butanoyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[4-(4-acetylphenoxy)butanoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C21H30N3O4+ MolecularWeight: 388.4806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4/c1-16(25)17-4-8-19(9-5-17)28-14-2-3-21(27)24-12-10-23(11-13-24)15-20(26)22-18-6-7-18/h4-5,8-9,18H,2-3,6-7,10-15H2,1H3,(H,22,26)/p+1