(3-methoxy-2-phenylmethoxy-phenyl)methyl-[(5S,7R)-3-oxidanyl-1-adamantyl]azanium

Systemtic Name: (3-methoxy-2-phenylmethoxy-phenyl)methyl-[(5S,7R)-3-oxidanyl-1-adamantyl]azanium Openeye Name: (2-benzyloxy-3-methoxy-phenyl)methyl-[(5S,7R)-3-hydroxy-1-adamantyl]ammonium CAS Name: [(5S,7R)-3-hydroxy-1-adamantyl]-[(3-methoxy-2-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: [(5S,7R)-3-hydroxy-1-adamantyl]-[(3-methoxy-2-phenylmethoxyphenyl)methyl]azanium Traditional Name: (2-benzoxy-3-methoxy-benzyl)-[(5S,7R)-3-hydroxy-1-adamantyl]ammonium Formula: C25H32NO3+ MolecularWeight: 394.52648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC2=CC=CC=C2)C[NH2+]C34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

COC1=CC=CC(=C1OCC2=CC=CC=C2)C[NH2+]C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O

InChI

InChI=1S/C25H31NO3/c1-28-22-9-5-8-21(23(22)29-16-18-6-3-2-4-7-18)15-26-24-11-19-10-20(12-24)14-25(27,13-19)17-24/h2-9,19-20,26-27H,10-17H2,1H3/p+1/t19-,20+,24?,25?