N-(2-ethylphenyl)-2-[4-[3-(2-methylpropoxy)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[3-(2-methylpropoxy)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-(3-isobutoxybenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[[3-(2-methylpropoxy)phenyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[3-(2-methylpropoxy)benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-(3-isobutoxybenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)OCC(C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)OCC(C)C

InChI

InChI=1S/C25H33N3O3/c1-4-20-8-5-6-11-23(20)26-24(29)17-27-12-14-28(15-13-27)25(30)21-9-7-10-22(16-21)31-18-19(2)3/h5-11,16,19H,4,12-15,17-18H2,1-3H3,(H,26,29)/p+1