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

Systemtic Name: [4-methoxy-3-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-[(5-methylthiophen-2-yl)methyl]azanium Openeye Name: [3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-[(5-methyl-2-thienyl)methyl]ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-[(5-methyl-2-thiophenyl)methyl]ammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-[(5-methylthiophen-2-yl)methyl]azanium Traditional Name: [3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-[(5-methyl-2-thienyl)methyl]ammonium Formula: C21H32N2O3S+2 MolecularWeight: 392.55538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C[NH2+]CC2=CC(=C(C=C2)OC)OCC(C[NH+]3CCCC3)O

Isomeric SMILES

CC1=CC=C(S1)C[NH2+]CC2=CC(=C(C=C2)OC)OC[C@@H](C[NH+]3CCCC3)O

InChI

InChI=1S/C21H30N2O3S/c1-16-5-7-19(27-16)13-22-12-17-6-8-20(25-2)21(11-17)26-15-18(24)14-23-9-3-4-10-23/h5-8,11,18,22,24H,3-4,9-10,12-15H2,1-2H3/p+2/t18-/m1/s1