3-(2-methylimidazol-1-yl)propyl-[[4-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium

Systemtic Name: 3-(2-methylimidazol-1-yl)propyl-[[4-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: [4-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-[3-(2-methylimidazol-1-yl)propyl]ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl-[3-(2-methyl-1-imidazolyl)propyl]ammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl-[3-(2-methylimidazol-1-yl)propyl]azanium Traditional Name: [4-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]-[3-(2-methylimidazol-1-yl)propyl]ammonium Formula: C22H36N4O2+2 MolecularWeight: 388.54684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CCC[NH2+]CC2=CC=C(C=C2)OCC(C[NH+]3CCCCC3)O

Isomeric SMILES

CC1=NC=CN1CCC[NH2+]CC2=CC=C(C=C2)OC[C@@H](C[NH+]3CCCCC3)O

InChI

InChI=1S/C22H34N4O2/c1-19-24-11-15-26(19)14-5-10-23-16-20-6-8-22(9-7-20)28-18-21(27)17-25-12-3-2-4-13-25/h6-9,11,15,21,23,27H,2-5,10,12-14,16-18H2,1H3/p+2/t21-/m1/s1