[(2R)-3-(diphenylmethyl)oxy-2-oxidanyl-propyl]-[(4-methoxycarbonylphenyl)methyl]azanium

Systemtic Name: [(2R)-3-(diphenylmethyl)oxy-2-oxidanyl-propyl]-[(4-methoxycarbonylphenyl)methyl]azanium Openeye Name: [(2R)-3-benzhydryloxy-2-hydroxy-propyl]-[(4-methoxycarbonylphenyl)methyl]ammonium CAS Name: [(2R)-3-(diphenylmethyl)oxy-2-hydroxypropyl]-[(4-methoxycarbonylphenyl)methyl]ammonium IUPAC Name: [(2R)-3-benzhydryloxy-2-hydroxypropyl]-[(4-methoxycarbonylphenyl)methyl]azanium Traditional Name: [(2R)-3-benzhydryloxy-2-hydroxy-propyl]-(4-carbomethoxybenzyl)ammonium Formula: C25H28NO4+ MolecularWeight: 406.49412

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[NH2+]CC(COC(C2=CC=CC=C2)C3=CC=CC=C3)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[NH2+]C[C@H](COC(C2=CC=CC=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C25H27NO4/c1-29-25(28)22-14-12-19(13-15-22)16-26-17-23(27)18-30-24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,23-24,26-27H,16-18H2,1H3/p+1/t23-/m1/s1