[(1S)-2-[(3-methoxy-4-oxidanyl-phenyl)methylamino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(3-methoxy-4-oxidanyl-phenyl)methylamino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(4-hydroxy-3-methoxy-phenyl)methylamino]-1-(2-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[(4-hydroxy-3-methoxyphenyl)methylamino]-1-thiophen-2-ylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(4-hydroxy-3-methoxyphenyl)methylamino]-1-thiophen-2-ylethyl]-dimethylazanium Traditional Name: dimethyl-[(1S)-1-(2-thienyl)-2-(vanillylamino)ethyl]ammonium Formula: C16H23N2O2S+ MolecularWeight: 307.43102

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNCC1=CC(=C(C=C1)O)OC)C2=CC=CS2

Isomeric SMILES

C[NH+](C)[C@@H](CNCC1=CC(=C(C=C1)O)OC)C2=CC=CS2

InChI

InChI=1S/C16H22N2O2S/c1-18(2)13(16-5-4-8-21-16)11-17-10-12-6-7-14(19)15(9-12)20-3/h4-9,13,17,19H,10-11H2,1-3H3/p+1/t13-/m0/s1