[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]azanium

Systemtic Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]azanium Openeye Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]ammonium CAS Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl-[(1,3,5-trimethyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]azanium Traditional Name: [(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]ammonium Formula: C19H28N3O2+ MolecularWeight: 330.44452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)C[NH2+]CC3=C(N(N=C3C)C)C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)C[NH2+]CC3=C(N(N=C3C)C)C

InChI

InChI=1S/C19H27N3O2/c1-6-23-18-8-15-7-12(2)24-19(15)9-16(18)10-20-11-17-13(3)21-22(5)14(17)4/h8-9,12,20H,6-7,10-11H2,1-5H3/p+1/t12-/m0/s1