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

Systemtic Name: [3-methoxy-4-[(2R)-2-oxidanyl-3-thiomorpholin-4-ium-4-yl-propoxy]phenyl]methyl-[(1-methylpyrazol-4-yl)methyl]-propan-2-yl-azanium Openeye Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl-isopropyl-[(1-methylpyrazol-4-yl)methyl]ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(4-thiomorpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl-[(1-methyl-4-pyrazolyl)methyl]-propan-2-ylammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl-[(1-methylpyrazol-4-yl)methyl]-propan-2-ylazanium Traditional Name: [4-[(2R)-2-hydroxy-3-thiomorpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]-isopropyl-[(1-methylpyrazol-4-yl)methyl]ammonium Formula: C23H38N4O3S+2 MolecularWeight: 450.63782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC1=CC(=C(C=C1)OCC(C[NH+]2CCSCC2)O)OC)CC3=CN(N=C3)C

Isomeric SMILES

CC(C)[NH+](CC1=CC(=C(C=C1)OC[C@@H](C[NH+]2CCSCC2)O)OC)CC3=CN(N=C3)C

InChI

InChI=1S/C23H36N4O3S/c1-18(2)27(15-20-12-24-25(3)13-20)14-19-5-6-22(23(11-19)29-4)30-17-21(28)16-26-7-9-31-10-8-26/h5-6,11-13,18,21,28H,7-10,14-17H2,1-4H3/p+2/t21-/m1/s1