[(1R)-1-(1-adamantyl)ethyl]-[(3-bromanyl-5-ethoxy-4-methoxy-phenyl)methyl]azanium

Systemtic Name: [(1R)-1-(1-adamantyl)ethyl]-[(3-bromanyl-5-ethoxy-4-methoxy-phenyl)methyl]azanium Openeye Name: [(1R)-1-(1-adamantyl)ethyl]-[(3-bromo-5-ethoxy-4-methoxy-phenyl)methyl]ammonium CAS Name: [(1R)-1-(1-adamantyl)ethyl]-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]ammonium IUPAC Name: [(1R)-1-(1-adamantyl)ethyl]-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]azanium Traditional Name: [(1R)-1-(1-adamantyl)ethyl]-(3-bromo-5-ethoxy-4-methoxy-benzyl)ammonium Formula: C22H33BrNO2+ MolecularWeight: 423.40692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]C(C)C23CC4CC(C2)CC(C4)C3)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H32BrNO2/c1-4-26-20-9-18(8-19(23)21(20)25-3)13-24-14(2)22-10-15-5-16(11-22)7-17(6-15)12-22/h8-9,14-17,24H,4-7,10-13H2,1-3H3/p+1/t14-,15?,16?,17?,22?/m1/s1