cyclohexyl-[(2S)-3-[3-[(2,2-dimethyl-3-oxidanylidene-piperazin-1-ium-1-yl)methyl]phenoxy]-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: cyclohexyl-[(2S)-3-[3-[(2,2-dimethyl-3-oxidanylidene-piperazin-1-ium-1-yl)methyl]phenoxy]-2-oxidanyl-propyl]-methyl-azanium Openeye Name: cyclohexyl-[(2S)-3-[3-[(2,2-dimethyl-3-oxo-piperazin-1-ium-1-yl)methyl]phenoxy]-2-hydroxy-propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2S)-3-[3-[(2,2-dimethyl-3-oxo-1-piperazin-1-iumyl)methyl]phenoxy]-2-hydroxypropyl]-methylammonium IUPAC Name: cyclohexyl-[(2S)-3-[3-[(2,2-dimethyl-3-oxopiperazin-1-ium-1-yl)methyl]phenoxy]-2-hydroxypropyl]-methylazanium Traditional Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-[(3-keto-2,2-dimethyl-piperazin-1-ium-1-yl)methyl]phenoxy]propyl]-methyl-ammonium Formula: C23H39N3O3+2 MolecularWeight: 405.57406

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NCC[NH+]1CC2=CC(=CC=C2)OCC(C[NH+](C)C3CCCCC3)O)C

Isomeric SMILES

CC1(C(=O)NCC[NH+]1CC2=CC(=CC=C2)OC[C@H](C[NH+](C)C3CCCCC3)O)C

InChI

InChI=1S/C23H37N3O3/c1-23(2)22(28)24-12-13-26(23)15-18-8-7-11-21(14-18)29-17-20(27)16-25(3)19-9-5-4-6-10-19/h7-8,11,14,19-20,27H,4-6,9-10,12-13,15-17H2,1-3H3,(H,24,28)/p+2/t20-/m0/s1