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

Systemtic Name: [4-methoxy-3-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-(2-pyrazin-2-ylethyl)azanium Openeye Name: [3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-(2-pyrazin-2-ylethyl)ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-[2-(2-pyrazinyl)ethyl]ammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-(2-pyrazin-2-ylethyl)azanium Traditional Name: [3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-(2-pyrazin-2-ylethyl)ammonium Formula: C21H32N4O3+2 MolecularWeight: 388.50378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CCC2=NC=CN=C2)OCC(C[NH+]3CCCC3)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CCC2=NC=CN=C2)OC[C@@H](C[NH+]3CCCC3)O

InChI

InChI=1S/C21H30N4O3/c1-27-20-5-4-17(13-22-7-6-18-14-23-8-9-24-18)12-21(20)28-16-19(26)15-25-10-2-3-11-25/h4-5,8-9,12,14,19,22,26H,2-3,6-7,10-11,13,15-16H2,1H3/p+2/t19-/m1/s1