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

Systemtic Name: [(1R)-1-(1-adamantyl)ethyl]-[(3-ethoxy-4-methoxy-phenyl)methyl]azanium Openeye Name: [(1R)-1-(1-adamantyl)ethyl]-[(3-ethoxy-4-methoxy-phenyl)methyl]ammonium CAS Name: [(1R)-1-(1-adamantyl)ethyl]-[(3-ethoxy-4-methoxyphenyl)methyl]ammonium IUPAC Name: [(1R)-1-(1-adamantyl)ethyl]-[(3-ethoxy-4-methoxyphenyl)methyl]azanium Traditional Name: [(1R)-1-(1-adamantyl)ethyl]-(3-ethoxy-4-methoxy-benzyl)ammonium Formula: C22H34NO2+ MolecularWeight: 344.51086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33NO2/c1-4-25-21-10-16(5-6-20(21)24-3)14-23-15(2)22-11-17-7-18(12-22)9-19(8-17)13-22/h5-6,10,15,17-19,23H,4,7-9,11-14H2,1-3H3/p+1/t15-,17?,18?,19?,22?/m1/s1