(2-chlorophenyl)methyl-[[4-methoxy-3-[(2S)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium

Systemtic Name: (2-chlorophenyl)methyl-[[4-methoxy-3-[(2S)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: (2-chlorophenyl)methyl-[[3-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl]ammonium CAS Name: (2-chlorophenyl)methyl-[[3-[(2S)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl]ammonium IUPAC Name: (2-chlorophenyl)methyl-[[3-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl]azanium Traditional Name: (2-chlorobenzyl)-[3-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]ammonium Formula: C22H31ClN2O3+2 MolecularWeight: 406.94614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CC2=CC=CC=C2Cl)OCC(C[NH+]3CCCC3)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CC2=CC=CC=C2Cl)OC[C@H](C[NH+]3CCCC3)O

InChI

InChI=1S/C22H29ClN2O3/c1-27-21-9-8-17(13-24-14-18-6-2-3-7-20(18)23)12-22(21)28-16-19(26)15-25-10-4-5-11-25/h2-3,6-9,12,19,24,26H,4-5,10-11,13-16H2,1H3/p+2/t19-/m0/s1