[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl]-methyl-(o-tolylmethyl)ammonium CAS Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]ammonium IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium Traditional Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl]-methyl-(2-methylbenzyl)ammonium Formula: C19H23N2O3+ MolecularWeight: 327.39752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+](C)C(C)C(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=CC=C1C[NH+](C)[C@H](C)C(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H22N2O3/c1-13-6-4-5-7-15(13)11-21(3)14(2)19(22)20-16-8-9-17-18(10-16)24-12-23-17/h4-10,14H,11-12H2,1-3H3,(H,20,22)/p+1/t14-/m1/s1