1-adamantyl-[(3-chloranyl-4-phenylmethoxy-phenyl)methyl]azanium

Systemtic Name: 1-adamantyl-[(3-chloranyl-4-phenylmethoxy-phenyl)methyl]azanium Openeye Name: 1-adamantyl-[(4-benzyloxy-3-chloro-phenyl)methyl]ammonium CAS Name: 1-adamantyl-[(3-chloro-4-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: 1-adamantyl-[(3-chloro-4-phenylmethoxyphenyl)methyl]azanium Traditional Name: 1-adamantyl-(4-benzoxy-3-chloro-benzyl)ammonium Formula: C24H29ClNO+ MolecularWeight: 382.94616

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)[NH2+]CC4=CC(=C(C=C4)OCC5=CC=CC=C5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)[NH2+]CC4=CC(=C(C=C4)OCC5=CC=CC=C5)Cl

InChI

InChI=1S/C24H28ClNO/c25-22-11-18(6-7-23(22)27-16-17-4-2-1-3-5-17)15-26-24-12-19-8-20(13-24)10-21(9-19)14-24/h1-7,11,19-21,26H,8-10,12-16H2/p+1