azanyl-tert-butyl-(3,5-dimethylphenyl)carbonyl-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)carbonyl]azanium

Systemtic Name: azanyl-tert-butyl-(3,5-dimethylphenyl)carbonyl-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)carbonyl]azanium Openeye Name: amino-tert-butyl-(3,5-dimethylbenzoyl)-(5-methyl-2,3-dihydro-1,4-benzodioxine-6-carbonyl)ammonium CAS Name: amino-tert-butyl-[(3,5-dimethylphenyl)-oxomethyl]-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-oxomethyl]ammonium IUPAC Name: amino-tert-butyl-(3,5-dimethylbenzoyl)-(5-methyl-2,3-dihydro-1,4-benzodioxine-6-carbonyl)azanium Traditional Name: amino-tert-butyl-(3,5-dimethylbenzoyl)-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-carbonyl)ammonium Formula: C23H29N2O4+ MolecularWeight: 397.48736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)[N+](C(=O)C2=C(C3=C(C=C2)OCCO3)C)(C(C)(C)C)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)[N+](C(=O)C2=C(C3=C(C=C2)OCCO3)C)(C(C)(C)C)N)C

InChI

InChI=1S/C23H29N2O4/c1-14-11-15(2)13-17(12-14)21(26)25(24,23(4,5)6)22(27)18-7-8-19-20(16(18)3)29-10-9-28-19/h7-8,11-13H,9-10,24H2,1-6H3/q+1