(4-tert-butylphenyl)methyl-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (4-tert-butylphenyl)methyl-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl]-[(4-tert-butylphenyl)methyl]-methyl-ammonium CAS Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(4-tert-butylphenyl)methyl]-methylammonium IUPAC Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(4-tert-butylphenyl)methyl]-methylazanium Traditional Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl]-(4-tert-butylbenzyl)-methyl-ammonium Formula: C23H29N2O4+ MolecularWeight: 397.48736

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+](C)CC3=CC=C(C=C3)C(C)(C)C)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+](C)CC3=CC=C(C=C3)C(C)(C)C)OCO2

InChI

InChI=1S/C23H28N2O4/c1-15(26)18-10-20-21(29-14-28-20)11-19(18)24-22(27)13-25(5)12-16-6-8-17(9-7-16)23(2,3)4/h6-11H,12-14H2,1-5H3,(H,24,27)/p+1