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

Systemtic Name: [3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-propan-2-yl-azanium Openeye Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl-isopropyl-ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl-propan-2-ylammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl-propan-2-ylazanium Traditional Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]-isopropyl-ammonium Formula: C18H32N2O3S+2 MolecularWeight: 356.52328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CC1=CC(=C(C=C1)OCC(C[NH+]2CCSCC2)O)OC

Isomeric SMILES

CC(C)[NH2+]CC1=CC(=C(C=C1)OC[C@@H](C[NH+]2CCSCC2)O)OC

InChI

InChI=1S/C18H30N2O3S/c1-14(2)19-11-15-4-5-17(18(10-15)22-3)23-13-16(21)12-20-6-8-24-9-7-20/h4-5,10,14,16,19,21H,6-9,11-13H2,1-3H3/p+2/t16-/m1/s1