(2S)-1-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-(4-phenyl-1-piperazin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Formula: C23H39N2O2+ MolecularWeight: 375.56796

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OCC(C[NH+]2CCN(CC2)C3=CC=CC=C3)O)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC[C@H](C[NH+]2CCN(CC2)C3=CC=CC=C3)O)C(C)C

InChI

InChI=1S/C23H38N2O2/c1-18(2)22-10-9-19(3)15-23(22)27-17-21(26)16-24-11-13-25(14-12-24)20-7-5-4-6-8-20/h4-8,18-19,21-23,26H,9-17H2,1-3H3/p+1/t19-,21-,22+,23-/m0/s1