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

Systemtic Name: 2-diethylaminoethyl-[[4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: 2-diethylaminoethyl-[[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl]ammonium CAS Name: 2-diethylaminoethyl-[[3-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl]ammonium IUPAC Name: 2-diethylaminoethyl-[[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl]azanium Traditional Name: 2-diethylaminoethyl-[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]ammonium Formula: C22H41N3O3+2 MolecularWeight: 395.57924

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC[NH2+]CC1=CC(=C(C=C1)OC)OCC(C[NH+]2CCCCC2)O

Isomeric SMILES

CCN(CC)CC[NH2+]CC1=CC(=C(C=C1)OC)OC[C@@H](C[NH+]2CCCCC2)O

InChI

InChI=1S/C22H39N3O3/c1-4-24(5-2)14-11-23-16-19-9-10-21(27-3)22(15-19)28-18-20(26)17-25-12-7-6-8-13-25/h9-10,15,20,23,26H,4-8,11-14,16-18H2,1-3H3/p+2/t20-/m1/s1