3-cyclopentylpropyl-[[3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]-methyl-azanium

Systemtic Name: 3-cyclopentylpropyl-[[3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl]-methyl-azanium Openeye Name: 3-cyclopentylpropyl-[[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl]-methyl-ammonium CAS Name: 3-cyclopentylpropyl-[[4-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl]-methylammonium IUPAC Name: 3-cyclopentylpropyl-[[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl]-methylazanium Traditional Name: 3-cyclopentylpropyl-[4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]-methyl-ammonium Formula: C24H42N2O3S+2 MolecularWeight: 438.66688

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCC1CCCC1)CC2=CC(=C(C=C2)OCC(C[NH+]3CCSCC3)O)OC

Isomeric SMILES

C[NH+](CCCC1CCCC1)CC2=CC(=C(C=C2)OC[C@@H](C[NH+]3CCSCC3)O)OC

InChI

InChI=1S/C24H40N2O3S/c1-25(11-5-8-20-6-3-4-7-20)17-21-9-10-23(24(16-21)28-2)29-19-22(27)18-26-12-14-30-15-13-26/h9-10,16,20,22,27H,3-8,11-15,17-19H2,1-2H3/p+2/t22-/m1/s1