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

Systemtic Name: [(1R)-1-(1-adamantyl)ethyl]-[(3-chloranyl-4-phenylmethoxy-phenyl)methyl]azanium Openeye Name: [(1R)-1-(1-adamantyl)ethyl]-[(4-benzyloxy-3-chloro-phenyl)methyl]ammonium CAS Name: [(1R)-1-(1-adamantyl)ethyl]-[(3-chloro-4-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: [(1R)-1-(1-adamantyl)ethyl]-[(3-chloro-4-phenylmethoxyphenyl)methyl]azanium Traditional Name: [(1R)-1-(1-adamantyl)ethyl]-(4-benzoxy-3-chloro-benzyl)ammonium Formula: C26H33ClNO+ MolecularWeight: 410.99932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)[NH2+]CC4=CC(=C(C=C4)OCC5=CC=CC=C5)Cl

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)[NH2+]CC4=CC(=C(C=C4)OCC5=CC=CC=C5)Cl

InChI

InChI=1S/C26H32ClNO/c1-18(26-13-21-9-22(14-26)11-23(10-21)15-26)28-16-20-7-8-25(24(27)12-20)29-17-19-5-3-2-4-6-19/h2-8,12,18,21-23,28H,9-11,13-17H2,1H3/p+1/t18-,21?,22?,23?,26?/m1/s1