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

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[[3-methoxy-4-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: (5-chloro-2-thienyl)methyl-[[4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[[4-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[[4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: (5-chloro-2-thienyl)methyl-[4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-benzyl]ammonium Formula: C20H29ClN2O3S+2 MolecularWeight: 412.97386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC2=CC=C(S2)Cl)OCC(C[NH+]3CCCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC2=CC=C(S2)Cl)OC[C@@H](C[NH+]3CCCC3)O

InChI

InChI=1S/C20H27ClN2O3S/c1-25-19-10-15(11-22-12-17-5-7-20(21)27-17)4-6-18(19)26-14-16(24)13-23-8-2-3-9-23/h4-7,10,16,22,24H,2-3,8-9,11-14H2,1H3/p+2/t16-/m1/s1