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

Systemtic Name: [4-methoxy-3-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-[2-(1-methylpyrazol-4-yl)ethyl]azanium Openeye Name: [3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-[2-(1-methylpyrazol-4-yl)ethyl]ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-[2-(1-methyl-4-pyrazolyl)ethyl]ammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-[2-(1-methylpyrazol-4-yl)ethyl]azanium Traditional Name: [3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-[2-(1-methylpyrazol-4-yl)ethyl]ammonium Formula: C21H34N4O3+2 MolecularWeight: 390.51966

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CC[NH2+]CC2=CC(=C(C=C2)OC)OCC(C[NH+]3CCCC3)O

Isomeric SMILES

CN1C=C(C=N1)CC[NH2+]CC2=CC(=C(C=C2)OC)OC[C@@H](C[NH+]3CCCC3)O

InChI

InChI=1S/C21H32N4O3/c1-24-14-18(13-23-24)7-8-22-12-17-5-6-20(27-2)21(11-17)28-16-19(26)15-25-9-3-4-10-25/h5-6,11,13-14,19,22,26H,3-4,7-10,12,15-16H2,1-2H3/p+2/t19-/m1/s1