[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium

Systemtic Name: [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium Openeye Name: [(1S)-2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl]-methyl-[(3-methyl-2-thienyl)methyl]ammonium CAS Name: [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methyl-[(3-methyl-2-thiophenyl)methyl]ammonium IUPAC Name: [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium Traditional Name: [(1S)-2-keto-1-methyl-2-(p-anisylamino)ethyl]-methyl-[(3-methyl-2-thienyl)methyl]ammonium Formula: C18H25N2O2S+ MolecularWeight: 333.4683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+](C)C(C)C(=O)NCC2=CC=C(C=C2)OC

Isomeric SMILES

CC1=C(SC=C1)C[NH+](C)[C@@H](C)C(=O)NCC2=CC=C(C=C2)OC

InChI

InChI=1S/C18H24N2O2S/c1-13-9-10-23-17(13)12-20(3)14(2)18(21)19-11-15-5-7-16(22-4)8-6-15/h5-10,14H,11-12H2,1-4H3,(H,19,21)/p+1/t14-/m0/s1