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

Systemtic Name: (1,3-dimethylpyrazol-4-yl)methyl-[[4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]-methyl-azanium Openeye Name: (1,3-dimethylpyrazol-4-yl)methyl-[[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl]-methyl-ammonium CAS Name: (1,3-dimethyl-4-pyrazolyl)methyl-[[3-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl]-methylammonium IUPAC Name: (1,3-dimethylpyrazol-4-yl)methyl-[[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl]-methylazanium Traditional Name: (1,3-dimethylpyrazol-4-yl)methyl-[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-methyl-ammonium Formula: C23H38N4O3+2 MolecularWeight: 418.57282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH+](C)CC2=CC(=C(C=C2)OC)OCC(C[NH+]3CCCCC3)O)C

Isomeric SMILES

CC1=NN(C=C1C[NH+](C)CC2=CC(=C(C=C2)OC)OC[C@@H](C[NH+]3CCCCC3)O)C

InChI

InChI=1S/C23H36N4O3/c1-18-20(15-26(3)24-18)14-25(2)13-19-8-9-22(29-4)23(12-19)30-17-21(28)16-27-10-6-5-7-11-27/h8-9,12,15,21,28H,5-7,10-11,13-14,16-17H2,1-4H3/p+2/t21-/m1/s1