(3,4-dimethoxyphenyl)methyl-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: (3,4-dimethoxyphenyl)methyl-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propyl]-(thiophen-2-ylmethyl)azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]-(2-thienylmethyl)ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-[(2S)-2-hydroxy-3-(4-morpholin-4-iumyl)propyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-(thiophen-2-ylmethyl)azanium Traditional Name: [(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]-(2-thenyl)-veratryl-ammonium Formula: C21H32N2O4S+2 MolecularWeight: 408.55478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+](CC2=CC=CS2)CC(C[NH+]3CCOCC3)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+](CC2=CC=CS2)C[C@H](C[NH+]3CCOCC3)O)OC

InChI

InChI=1S/C21H30N2O4S/c1-25-20-6-5-17(12-21(20)26-2)13-23(16-19-4-3-11-28-19)15-18(24)14-22-7-9-27-10-8-22/h3-6,11-12,18,24H,7-10,13-16H2,1-2H3/p+2/t18-/m0/s1