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

Systemtic Name: [3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-(3-methylbutyl)azanium Openeye Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl-isopentyl-ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl-(3-methylbutyl)ammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl-(3-methylbutyl)azanium Traditional Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]-isoamyl-ammonium Formula: C20H36N2O3S+2 MolecularWeight: 384.57644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34N2O3S/c1-16(2)6-7-21-13-17-4-5-19(20(12-17)24-3)25-15-18(23)14-22-8-10-26-11-9-22/h4-5,12,16,18,21,23H,6-11,13-15H2,1-3H3/p+2/t18-/m1/s1