N-butyl-2-[4-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-[2-(2-isopropyl-5-methyl-phenoxy)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-[2-(2-isopropyl-5-methyl-phenoxy)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C22H36N3O3+ MolecularWeight: 390.53954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)COC2=C(C=CC(=C2)C)C(C)C

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)COC2=C(C=CC(=C2)C)C(C)C

InChI

InChI=1S/C22H35N3O3/c1-5-6-9-23-21(26)15-24-10-12-25(13-11-24)22(27)16-28-20-14-18(4)7-8-19(20)17(2)3/h7-8,14,17H,5-6,9-13,15-16H2,1-4H3,(H,23,26)/p+1