3,3-dimethyl-4-[[2-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]piperazin-4-ium-2-one

Systemtic Name: 3,3-dimethyl-4-[[2-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]piperazin-4-ium-2-one Openeye Name: 4-[[2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]-3,3-dimethyl-piperazin-4-ium-2-one CAS Name: 4-[[2-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl]-3,3-dimethyl-2-piperazin-4-iumone IUPAC Name: 4-[[2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl]-3,3-dimethylpiperazin-4-ium-2-one Traditional Name: 4-[2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]-3,3-dimethyl-piperazin-4-ium-2-one Formula: C21H35N3O3+2 MolecularWeight: 377.5209

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NCC[NH+]1CC2=CC=CC=C2OCC(C[NH+]3CCCCC3)O)C

Isomeric SMILES

CC1(C(=O)NCC[NH+]1CC2=CC=CC=C2OC[C@@H](C[NH+]3CCCCC3)O)C

InChI

InChI=1S/C21H33N3O3/c1-21(2)20(26)22-10-13-24(21)14-17-8-4-5-9-19(17)27-16-18(25)15-23-11-6-3-7-12-23/h4-5,8-9,18,25H,3,6-7,10-16H2,1-2H3,(H,22,26)/p+2/t18-/m1/s1