[3-(hydroxymethyl)-4-propan-2-yloxy-phenyl]methyl-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]azanium

Systemtic Name: [3-(hydroxymethyl)-4-propan-2-yloxy-phenyl]methyl-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]azanium Openeye Name: [3-(hydroxymethyl)-4-isopropoxy-phenyl]methyl-[(3S)-8-methoxychroman-3-yl]ammonium CAS Name: [3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl-[(3S)-8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]ammonium IUPAC Name: [3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]azanium Traditional Name: (4-isopropoxy-3-methylol-benzyl)-[(3S)-8-methoxychroman-3-yl]ammonium Formula: C21H28NO4+ MolecularWeight: 358.45132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C[NH2+]C2CC3=C(C(=CC=C3)OC)OC2)CO

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C[NH2+][C@H]2CC3=C(C(=CC=C3)OC)OC2)CO

InChI

InChI=1S/C21H27NO4/c1-14(2)26-19-8-7-15(9-17(19)12-23)11-22-18-10-16-5-4-6-20(24-3)21(16)25-13-18/h4-9,14,18,22-23H,10-13H2,1-3H3/p+1/t18-/m0/s1