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

Systemtic Name: (4-dimethylaminophenyl)methyl-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]-ethyl-azanium Openeye Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl]-[(4-dimethylaminophenyl)methyl]-ethyl-ammonium CAS Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(4-dimethylaminophenyl)methyl]-ethylammonium IUPAC Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(4-dimethylaminophenyl)methyl]-ethylazanium Traditional Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl]-[4-(dimethylamino)benzyl]-ethyl-ammonium Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=C(C=C1)N(C)C)CC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3

Isomeric SMILES

CC[NH+](CC1=CC=C(C=C1)N(C)C)CC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3

InChI

InChI=1S/C22H27N3O4/c1-5-25(12-16-6-8-17(9-7-16)24(3)4)13-22(27)23-19-11-21-20(28-14-29-21)10-18(19)15(2)26/h6-11H,5,12-14H2,1-4H3,(H,23,27)/p+1