[3-methoxy-4-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl-(2-thiophen-2-ylethyl)azanium

Systemtic Name: [3-methoxy-4-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl-(2-thiophen-2-ylethyl)azanium Openeye Name: [4-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl-[2-(2-thienyl)ethyl]ammonium CAS Name: [4-[(2S)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl-(2-thiophen-2-ylethyl)ammonium IUPAC Name: [4-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl-(2-thiophen-2-ylethyl)azanium Traditional Name: [4-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]-[2-(2-thienyl)ethyl]ammonium Formula: C21H32N2O4S+2 MolecularWeight: 408.55478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCC2=CC=CS2)OCC(C[NH+]3CCOCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCC2=CC=CS2)OC[C@H](C[NH+]3CCOCC3)O

InChI

InChI=1S/C21H30N2O4S/c1-25-21-13-17(14-22-7-6-19-3-2-12-28-19)4-5-20(21)27-16-18(24)15-23-8-10-26-11-9-23/h2-5,12-13,18,22,24H,6-11,14-16H2,1H3/p+2/t18-/m0/s1