1-adamantyl-[(4-methoxy-2,5-dimethyl-phenyl)methyl]azanium

Systemtic Name: 1-adamantyl-[(4-methoxy-2,5-dimethyl-phenyl)methyl]azanium Openeye Name: 1-adamantyl-[(4-methoxy-2,5-dimethyl-phenyl)methyl]ammonium CAS Name: 1-adamantyl-[(4-methoxy-2,5-dimethylphenyl)methyl]ammonium IUPAC Name: 1-adamantyl-[(4-methoxy-2,5-dimethylphenyl)methyl]azanium Traditional Name: 1-adamantyl-(4-methoxy-2,5-dimethyl-benzyl)ammonium Formula: C20H30NO+ MolecularWeight: 300.4583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH2+]C23CC4CC(C2)CC(C4)C3)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH2+]C23CC4CC(C2)CC(C4)C3)C)OC

InChI

InChI=1S/C20H29NO/c1-13-5-19(22-3)14(2)4-18(13)12-21-20-9-15-6-16(10-20)8-17(7-15)11-20/h4-5,15-17,21H,6-12H2,1-3H3/p+1