[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl]-[(4-isopropylphenyl)methyl]-methyl-ammonium CAS Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-methyl-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl]-(4-isopropylbenzyl)-methyl-ammonium Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+](C)C(C)C(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)[NH+](C)CC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H26N2O3/c1-14(2)17-7-5-16(6-8-17)12-23(4)15(3)21(24)22-18-9-10-19-20(11-18)26-13-25-19/h5-11,14-15H,12-13H2,1-4H3,(H,22,24)/p+1/t15-/m1/s1