1-adamantyl-[(3-chloranyl-5-ethoxy-4-methoxy-phenyl)methyl]azanium

Systemtic Name: 1-adamantyl-[(3-chloranyl-5-ethoxy-4-methoxy-phenyl)methyl]azanium Openeye Name: 1-adamantyl-[(3-chloro-5-ethoxy-4-methoxy-phenyl)methyl]ammonium CAS Name: 1-adamantyl-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]ammonium IUPAC Name: 1-adamantyl-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]azanium Traditional Name: 1-adamantyl-(3-chloro-5-ethoxy-4-methoxy-benzyl)ammonium Formula: C20H29ClNO2+ MolecularWeight: 350.90276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28ClNO2/c1-3-24-18-8-16(7-17(21)19(18)23-2)12-22-20-9-13-4-14(10-20)6-15(5-13)11-20/h7-8,13-15,22H,3-6,9-12H2,1-2H3/p+1