2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(1S)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl]ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl]ammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl]azanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-2-keto-1-methyl-2-(m-toluidino)ethyl]-methyl-ammonium Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)[NH+](C)CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)[NH+](C)CC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H24N2O3/c1-14-5-4-6-17(11-14)21-20(23)15(2)22(3)13-16-7-8-18-19(12-16)25-10-9-24-18/h4-8,11-12,15H,9-10,13H2,1-3H3,(H,21,23)/p+1/t15-/m0/s1