(4-methoxyphenyl)methyl-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]-[(2R)-1-thiophen-2-ylpropan-2-yl]azanium

Systemtic Name: (4-methoxyphenyl)methyl-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]-[(2R)-1-thiophen-2-ylpropan-2-yl]azanium Openeye Name: [2-(isobutylamino)-2-oxo-ethyl]-[(4-methoxyphenyl)methyl]-[(1R)-1-methyl-2-(2-thienyl)ethyl]ammonium CAS Name: (4-methoxyphenyl)methyl-[2-(2-methylpropylamino)-2-oxoethyl]-[(2R)-1-thiophen-2-ylpropan-2-yl]ammonium IUPAC Name: (4-methoxyphenyl)methyl-[2-(2-methylpropylamino)-2-oxoethyl]-[(2R)-1-thiophen-2-ylpropan-2-yl]azanium Traditional Name: [2-(isobutylamino)-2-keto-ethyl]-[(1R)-1-methyl-2-(2-thienyl)ethyl]-p-anisyl-ammonium Formula: C21H31N2O2S+ MolecularWeight: 375.54804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C[NH+](CC1=CC=C(C=C1)OC)C(C)CC2=CC=CS2

Isomeric SMILES

C[C@H](CC1=CC=CS1)[NH+](CC2=CC=C(C=C2)OC)CC(=O)NCC(C)C

InChI

InChI=1S/C21H30N2O2S/c1-16(2)13-22-21(24)15-23(17(3)12-20-6-5-11-26-20)14-18-7-9-19(25-4)10-8-18/h5-11,16-17H,12-15H2,1-4H3,(H,22,24)/p+1/t17-/m1/s1