(2-methoxy-5-methyl-phenyl)methyl-methyl-[2-oxidanylidene-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]azanium

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl-methyl-[2-oxidanylidene-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]azanium Openeye Name: (2-methoxy-5-methyl-phenyl)methyl-methyl-[2-oxo-2-[[(1R)-1-(2-thienyl)ethyl]amino]ethyl]ammonium CAS Name: (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]ammonium IUPAC Name: (2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]azanium Traditional Name: [2-keto-2-[[(1R)-1-(2-thienyl)ethyl]amino]ethyl]-(2-methoxy-5-methyl-benzyl)-methyl-ammonium Formula: C18H25N2O2S+ MolecularWeight: 333.4683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+](C)CC(=O)NC(C)C2=CC=CS2

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+](C)CC(=O)N[C@H](C)C2=CC=CS2

InChI

InChI=1S/C18H24N2O2S/c1-13-7-8-16(22-4)15(10-13)11-20(3)12-18(21)19-14(2)17-6-5-9-23-17/h5-10,14H,11-12H2,1-4H3,(H,19,21)/p+1/t14-/m1/s1