[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-[(4-isopropylphenyl)methyl]-methyl-ammonium CAS Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]-(4-isopropylbenzyl)-methyl-ammonium Formula: C20H25N2O3+ MolecularWeight: 341.4241

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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=C2)OCO3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+](C)CC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H24N2O3/c1-14(2)16-6-4-15(5-7-16)11-22(3)12-20(23)21-17-8-9-18-19(10-17)25-13-24-18/h4-10,14H,11-13H2,1-3H3,(H,21,23)/p+1