methyl-[(2R)-2-phenyl-1-(3,4,5-trimethoxyphenyl)carbonyloxy-butan-2-yl]azanium

Systemtic Name: methyl-[(2R)-2-phenyl-1-(3,4,5-trimethoxyphenyl)carbonyloxy-butan-2-yl]azanium Openeye Name: methyl-[(1R)-1-phenyl-1-[(3,4,5-trimethoxybenzoyl)oxymethyl]propyl]ammonium CAS Name: methyl-[(2R)-1-[oxo-(3,4,5-trimethoxyphenyl)methoxy]-2-phenylbutan-2-yl]ammonium IUPAC Name: methyl-[(2R)-2-phenyl-1-(3,4,5-trimethoxybenzoyl)oxybutan-2-yl]azanium Traditional Name: methyl-[(1R)-1-phenyl-1-[(3,4,5-trimethoxybenzoyl)oxymethyl]propyl]ammonium Formula: C21H28NO5+ MolecularWeight: 374.45072

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)[NH2+]C

Isomeric SMILES

CC[C@](COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)[NH2+]C

InChI

InChI=1S/C21H27NO5/c1-6-21(22-2,16-10-8-7-9-11-16)14-27-20(23)15-12-17(24-3)19(26-5)18(13-15)25-4/h7-13,22H,6,14H2,1-5H3/p+1/t21-/m0/s1