[3-[(2-carboxy-3-propan-2-yl-oxolan-2-yl)methyl]phenyl]methylazanium chloride

Systemtic Name: [3-[(2-carboxy-3-propan-2-yl-oxolan-2-yl)methyl]phenyl]methylazanium chloride Openeye Name: [3-[(2-carboxy-3-isopropyl-tetrahydrofuran-2-yl)methyl]phenyl]methylammonium chloride CAS Name: [3-[(2-carboxy-3-propan-2-yl-2-oxolanyl)methyl]phenyl]methylammonium chloride IUPAC Name: [3-[(2-carboxy-3-propan-2-yloxolan-2-yl)methyl]phenyl]methylazanium chloride Traditional Name: [3-[(2-carboxy-3-isopropyl-tetrahydrofuran-2-yl)methyl]benzyl]ammonium chloride Formula: C16H24ClNO3 MolecularWeight: 313.81966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCOC1(CC2=CC(=CC=C2)C[NH3+])C(=O)O.[Cl-]

Isomeric SMILES

CC(C)C1CCOC1(CC2=CC(=CC=C2)C[NH3+])C(=O)O.[Cl-]

InChI

InChI=1S/C16H23NO3.ClH/c1-11(2)14-6-7-20-16(14,15(18)19)9-12-4-3-5-13(8-12)10-17;/h3-5,8,11,14H,6-7,9-10,17H2,1-2H3,(H,18,19);1H