(3,4-dimethoxyphenyl)methyl-[(5S,7R)-3-oxidanyl-1-adamantyl]azanium

Systemtic Name: (3,4-dimethoxyphenyl)methyl-[(5S,7R)-3-oxidanyl-1-adamantyl]azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-[(5S,7R)-3-hydroxy-1-adamantyl]ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-[(5S,7R)-3-hydroxy-1-adamantyl]ammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-[(5S,7R)-3-hydroxy-1-adamantyl]azanium Traditional Name: [(5S,7R)-3-hydroxy-1-adamantyl]-veratryl-ammonium Formula: C19H28NO3+ MolecularWeight: 318.43052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]C23CC4CC(C2)CC(C4)(C3)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O)OC

InChI

InChI=1S/C19H27NO3/c1-22-16-4-3-13(6-17(16)23-2)11-20-18-7-14-5-15(8-18)10-19(21,9-14)12-18/h3-4,6,14-15,20-21H,5,7-12H2,1-2H3/p+1/t14-,15+,18?,19?