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

Systemtic Name: 2-adamantyl-[(3-chloranyl-4-phenylmethoxy-phenyl)methyl]azanium Openeye Name: 2-adamantyl-[(4-benzyloxy-3-chloro-phenyl)methyl]ammonium CAS Name: 2-adamantyl-[(3-chloro-4-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: 2-adamantyl-[(3-chloro-4-phenylmethoxyphenyl)methyl]azanium Traditional Name: 2-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/c25-22-13-17(6-7-23(22)27-15-16-4-2-1-3-5-16)14-26-24-20-9-18-8-19(11-20)12-21(24)10-18/h1-7,13,18-21,24,26H,8-12,14-15H2/p+1