[3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-(1-phenylcyclopropyl)azanium

Systemtic Name: [3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-(1-phenylcyclopropyl)azanium Openeye Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl-(1-phenylcyclopropyl)ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl-(1-phenylcyclopropyl)ammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl-(1-phenylcyclopropyl)azanium Traditional Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]-(1-phenylcyclopropyl)ammonium Formula: C24H34N2O3S+2 MolecularWeight: 430.60336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]C2(CC2)C3=CC=CC=C3)OCC(C[NH+]4CCSCC4)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]C2(CC2)C3=CC=CC=C3)OC[C@@H](C[NH+]4CCSCC4)O

InChI

InChI=1S/C24H32N2O3S/c1-28-23-15-19(16-25-24(9-10-24)20-5-3-2-4-6-20)7-8-22(23)29-18-21(27)17-26-11-13-30-14-12-26/h2-8,15,21,25,27H,9-14,16-18H2,1H3/p+2/t21-/m1/s1