3-cyclopentylpropyl-[[3-[(2S)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]azanium

Systemtic Name: 3-cyclopentylpropyl-[[3-[(2S)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]azanium Openeye Name: 3-cyclopentylpropyl-[[3-[(2S)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]phenyl]methyl]ammonium CAS Name: 3-cyclopentylpropyl-[[3-[(2S)-2-hydroxy-3-(4-hydroxy-1-piperidin-1-iumyl)propoxy]phenyl]methyl]ammonium IUPAC Name: 3-cyclopentylpropyl-[[3-[(2S)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]phenyl]methyl]azanium Traditional Name: 3-cyclopentylpropyl-[3-[(2S)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]benzyl]ammonium Formula: C23H40N2O3+2 MolecularWeight: 392.5753

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC[NH2+]CC2=CC(=CC=C2)OCC(C[NH+]3CCC(CC3)O)O

Isomeric SMILES

C1CCC(C1)CCC[NH2+]CC2=CC(=CC=C2)OC[C@H](C[NH+]3CCC(CC3)O)O

InChI

InChI=1S/C23H38N2O3/c26-21-10-13-25(14-11-21)17-22(27)18-28-23-9-3-7-20(15-23)16-24-12-4-8-19-5-1-2-6-19/h3,7,9,15,19,21-22,24,26-27H,1-2,4-6,8,10-14,16-18H2/p+2/t22-/m0/s1