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

Systemtic Name: 1-adamantyl-[(3-bromanyl-4-methoxy-phenyl)methyl]azanium Openeye Name: 1-adamantyl-[(3-bromo-4-methoxy-phenyl)methyl]ammonium CAS Name: 1-adamantyl-[(3-bromo-4-methoxyphenyl)methyl]ammonium IUPAC Name: 1-adamantyl-[(3-bromo-4-methoxyphenyl)methyl]azanium Traditional Name: 1-adamantyl-(3-bromo-4-methoxy-benzyl)ammonium Formula: C18H25BrNO+ MolecularWeight: 351.3012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)Br

InChI

InChI=1S/C18H24BrNO/c1-21-17-3-2-12(7-16(17)19)11-20-18-8-13-4-14(9-18)6-15(5-13)10-18/h2-3,7,13-15,20H,4-6,8-11H2,1H3/p+1