(5-chloranyl-2-methoxy-phenyl)methyl-[(3S,5R)-3,5-dimethyl-1-adamantyl]azanium

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl-[(3S,5R)-3,5-dimethyl-1-adamantyl]azanium Openeye Name: (5-chloro-2-methoxy-phenyl)methyl-[(3S,5R)-3,5-dimethyl-1-adamantyl]ammonium CAS Name: (5-chloro-2-methoxyphenyl)methyl-[(3S,5R)-3,5-dimethyl-1-adamantyl]ammonium IUPAC Name: (5-chloro-2-methoxyphenyl)methyl-[(3S,5R)-3,5-dimethyl-1-adamantyl]azanium Traditional Name: (5-chloro-2-methoxy-benzyl)-[(3S,5R)-3,5-dimethyl-1-adamantyl]ammonium Formula: C20H29ClNO+ MolecularWeight: 334.90336

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)[NH2+]CC4=C(C=CC(=C4)Cl)OC)C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)[NH2+]CC4=C(C=CC(=C4)Cl)OC)C

InChI

InChI=1S/C20H28ClNO/c1-18-7-14-8-19(2,11-18)13-20(9-14,12-18)22-10-15-6-16(21)4-5-17(15)23-3/h4-6,14,22H,7-13H2,1-3H3/p+1/t14?,18-,19+,20?