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

Systemtic Name: [(1R)-1-(1-adamantyl)ethyl]-[(3-chloranyl-4-ethoxy-5-methoxy-phenyl)methyl]azanium Openeye Name: [(1R)-1-(1-adamantyl)ethyl]-[(3-chloro-4-ethoxy-5-methoxy-phenyl)methyl]ammonium CAS Name: [(1R)-1-(1-adamantyl)ethyl]-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]ammonium IUPAC Name: [(1R)-1-(1-adamantyl)ethyl]-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]azanium Traditional Name: [(1R)-1-(1-adamantyl)ethyl]-(3-chloro-4-ethoxy-5-methoxy-benzyl)ammonium Formula: C22H33ClNO2+ MolecularWeight: 378.95592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C[NH2+]C(C)C23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C[NH2+][C@H](C)C23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C22H32ClNO2/c1-4-26-21-19(23)8-18(9-20(21)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