2-adamantyl-[(3-chloranyl-4-ethoxy-phenyl)methyl]azanium

Systemtic Name: 2-adamantyl-[(3-chloranyl-4-ethoxy-phenyl)methyl]azanium Openeye Name: 2-adamantyl-[(3-chloro-4-ethoxy-phenyl)methyl]ammonium CAS Name: 2-adamantyl-[(3-chloro-4-ethoxyphenyl)methyl]ammonium IUPAC Name: 2-adamantyl-[(3-chloro-4-ethoxyphenyl)methyl]azanium Traditional Name: 2-adamantyl-(3-chloro-4-ethoxy-benzyl)ammonium Formula: C19H27ClNO+ MolecularWeight: 320.87678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)Cl

InChI

InChI=1S/C19H26ClNO/c1-2-22-18-4-3-12(10-17(18)20)11-21-19-15-6-13-5-14(8-15)9-16(19)7-13/h3-4,10,13-16,19,21H,2,5-9,11H2,1H3/p+1