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

Systemtic Name: 1-adamantyl-[(3-ethoxy-4-methoxy-phenyl)methyl]azanium Openeye Name: 1-adamantyl-[(3-ethoxy-4-methoxy-phenyl)methyl]ammonium CAS Name: 1-adamantyl-[(3-ethoxy-4-methoxyphenyl)methyl]ammonium IUPAC Name: 1-adamantyl-[(3-ethoxy-4-methoxyphenyl)methyl]azanium Traditional Name: 1-adamantyl-(3-ethoxy-4-methoxy-benzyl)ammonium Formula: C20H30NO2+ MolecularWeight: 316.4577

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29NO2/c1-3-23-19-9-14(4-5-18(19)22-2)13-21-20-10-15-6-16(11-20)8-17(7-15)12-20/h4-5,9,15-17,21H,3,6-8,10-13H2,1-2H3/p+1