cyclohexyl-[(2S)-3-[2-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]phenoxy]-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: cyclohexyl-[(2S)-3-[2-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]phenoxy]-2-oxidanyl-propyl]-methyl-azanium Openeye Name: cyclohexyl-[(2S)-3-[2-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]phenoxy]-2-hydroxy-propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2S)-3-[2-[(4-ethoxycarbonyl-1-piperidin-1-iumyl)methyl]phenoxy]-2-hydroxypropyl]-methylammonium IUPAC Name: cyclohexyl-[(2S)-3-[2-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]phenoxy]-2-hydroxypropyl]-methylazanium Traditional Name: [(2S)-3-[2-[(4-carbethoxypiperidin-1-ium-1-yl)methyl]phenoxy]-2-hydroxy-propyl]-cyclohexyl-methyl-ammonium Formula: C25H42N2O4+2 MolecularWeight: 434.61198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC=CC=C2OCC(C[NH+](C)C3CCCCC3)O

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC=CC=C2OC[C@H](C[NH+](C)C3CCCCC3)O

InChI

InChI=1S/C25H40N2O4/c1-3-30-25(29)20-13-15-27(16-14-20)17-21-9-7-8-12-24(21)31-19-23(28)18-26(2)22-10-5-4-6-11-22/h7-9,12,20,22-23,28H,3-6,10-11,13-19H2,1-2H3/p+2/t23-/m0/s1