[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl-(2-thienylmethyl)ammonium CAS Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl-(2-thenyl)ammonium Formula: C17H22NO2S+ MolecularWeight: 304.42708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)C[NH2+]CC3=CC=CS3

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)C[NH2+]CC3=CC=CS3

InChI

InChI=1S/C17H21NO2S/c1-3-19-16-8-13-7-12(2)20-17(13)9-14(16)10-18-11-15-5-4-6-21-15/h4-6,8-9,12,18H,3,7,10-11H2,1-2H3/p+1/t12-/m0/s1