[2-chloranyl-6-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-phenyl]methylazanium

Systemtic Name: [2-chloranyl-6-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-phenyl]methylazanium Openeye Name: [2-chloro-6-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]phenyl]methylammonium CAS Name: [2-chloro-6-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyphenyl]methylammonium IUPAC Name: [2-chloro-6-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyphenyl]methylazanium Traditional Name: [2-chloro-6-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]benzyl]ammonium Formula: C17H27ClNO+ MolecularWeight: 296.85538

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC2=C(C(=CC=C2)Cl)C[NH3+])C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC2=C(C(=CC=C2)Cl)C[NH3+])C(C)C

InChI

InChI=1S/C17H26ClNO/c1-11(2)13-8-7-12(3)9-17(13)20-16-6-4-5-15(18)14(16)10-19/h4-6,11-13,17H,7-10,19H2,1-3H3/p+1/t12-,13+,17-/m0/s1