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

Systemtic Name: [2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]-ethyl-(phenylmethyl)azanium Openeye Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl]-benzyl-ethyl-ammonium CAS Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-ethyl-(phenylmethyl)ammonium IUPAC Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-benzyl-ethylazanium Traditional Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl]-benzyl-ethyl-ammonium Formula: C20H23N2O4+ MolecularWeight: 355.40762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4/c1-3-22(11-15-7-5-4-6-8-15)12-20(24)21-17-10-19-18(25-13-26-19)9-16(17)14(2)23/h4-10H,3,11-13H2,1-2H3,(H,21,24)/p+1