[(1R)-1-(1-adamantyl)ethyl]-[(3-ethoxy-4-phenylmethoxy-phenyl)methyl]azanium

Systemtic Name: [(1R)-1-(1-adamantyl)ethyl]-[(3-ethoxy-4-phenylmethoxy-phenyl)methyl]azanium Openeye Name: [(1R)-1-(1-adamantyl)ethyl]-[(4-benzyloxy-3-ethoxy-phenyl)methyl]ammonium CAS Name: [(1R)-1-(1-adamantyl)ethyl]-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: [(1R)-1-(1-adamantyl)ethyl]-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]azanium Traditional Name: [(1R)-1-(1-adamantyl)ethyl]-(4-benzoxy-3-ethoxy-benzyl)ammonium Formula: C28H38NO2+ MolecularWeight: 420.60682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]C(C)C23CC4CC(C2)CC(C4)C3)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+][C@H](C)C23CC4CC(C2)CC(C4)C3)OCC5=CC=CC=C5

InChI

InChI=1S/C28H37NO2/c1-3-30-27-14-22(9-10-26(27)31-19-21-7-5-4-6-8-21)18-29-20(2)28-15-23-11-24(16-28)13-25(12-23)17-28/h4-10,14,20,23-25,29H,3,11-13,15-19H2,1-2H3/p+1/t20-,23?,24?,25?,28?/m1/s1