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

Systemtic Name: [4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-methyl-(pyrazin-2-ylmethyl)azanium Openeye Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-methyl-(pyrazin-2-ylmethyl)ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-methyl-(2-pyrazinylmethyl)ammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-methyl-(pyrazin-2-ylmethyl)azanium Traditional Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-methyl-(pyrazin-2-ylmethyl)ammonium Formula: C22H34N4O3+2 MolecularWeight: 402.53036

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1)OC)OCC(C[NH+]2CCCCC2)O)CC3=NC=CN=C3

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)OC)OC[C@@H](C[NH+]2CCCCC2)O)CC3=NC=CN=C3

InChI

InChI=1S/C22H32N4O3/c1-25(15-19-13-23-8-9-24-19)14-18-6-7-21(28-2)22(12-18)29-17-20(27)16-26-10-4-3-5-11-26/h6-9,12-13,20,27H,3-5,10-11,14-17H2,1-2H3/p+2/t20-/m1/s1