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

Systemtic Name: [2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl]-[(4-isopropylphenyl)methyl]-methyl-ammonium CAS Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl]-(4-isopropylbenzyl)-methyl-ammonium Formula: C22H27N2O4+ MolecularWeight: 383.46078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+](C)CC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+](C)CC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3

InChI

InChI=1S/C22H26N2O4/c1-14(2)17-7-5-16(6-8-17)11-24(4)12-22(26)23-19-10-21-20(27-13-28-21)9-18(19)15(3)25/h5-10,14H,11-13H2,1-4H3,(H,23,26)/p+1