[(3S,5R)-3,5-dimethyl-1-adamantyl]-[(4-ethoxy-3-methoxy-5-prop-2-enyl-phenyl)methyl]azanium

Systemtic Name: [(3S,5R)-3,5-dimethyl-1-adamantyl]-[(4-ethoxy-3-methoxy-5-prop-2-enyl-phenyl)methyl]azanium Openeye Name: (3-allyl-4-ethoxy-5-methoxy-phenyl)methyl-[(3S,5R)-3,5-dimethyl-1-adamantyl]ammonium CAS Name: [(3S,5R)-3,5-dimethyl-1-adamantyl]-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]ammonium IUPAC Name: [(3S,5R)-3,5-dimethyl-1-adamantyl]-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]azanium Traditional Name: (3-allyl-4-ethoxy-5-methoxy-benzyl)-[(3S,5R)-3,5-dimethyl-1-adamantyl]ammonium Formula: C25H38NO2+ MolecularWeight: 384.57472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1OC)C[NH2+]C23CC4CC(C2)(CC(C4)(C3)C)C)CC=C

Isomeric SMILES

CCOC1=C(C=C(C=C1OC)C[NH2+]C23CC4C[C@@](C2)(C[C@](C4)(C3)C)C)CC=C

InChI

InChI=1S/C25H37NO2/c1-6-8-20-9-18(10-21(27-5)22(20)28-7-2)14-26-25-13-19-11-23(3,16-25)15-24(4,12-19)17-25/h6,9-10,19,26H,1,7-8,11-17H2,2-5H3/p+1/t19?,23-,24+,25?