2-(4,6-dimethylpyrimidin-2-yl)ethyl-[[4-methoxy-2-[(2S)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)ethyl-[[4-methoxy-2-[(2S)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)ethyl-[[2-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl]ammonium CAS Name: 2-(4,6-dimethyl-2-pyrimidinyl)ethyl-[[2-[(2S)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl]ammonium IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)ethyl-[[2-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl]azanium Traditional Name: 2-(4,6-dimethylpyrimidin-2-yl)ethyl-[2-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]ammonium Formula: C23H36N4O3+2 MolecularWeight: 416.55694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)CC[NH2+]CC2=C(C=C(C=C2)OC)OCC(C[NH+]3CCCC3)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)CC[NH2+]CC2=C(C=C(C=C2)OC)OC[C@H](C[NH+]3CCCC3)O)C

InChI

InChI=1S/C23H34N4O3/c1-17-12-18(2)26-23(25-17)8-9-24-14-19-6-7-21(29-3)13-22(19)30-16-20(28)15-27-10-4-5-11-27/h6-7,12-13,20,24,28H,4-5,8-11,14-16H2,1-3H3/p+2/t20-/m0/s1