[(2R)-3-[2-methoxy-5-[[(5-methylthiophen-2-yl)methylazaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium

Systemtic Name: [(2R)-3-[2-methoxy-5-[[(5-methylthiophen-2-yl)methylazaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium Openeye Name: [(2R)-2-hydroxy-3-[2-methoxy-5-[[(5-methyl-2-thienyl)methylammonio]methyl]phenoxy]propyl]-isopropyl-methyl-ammonium CAS Name: [(2R)-2-hydroxy-3-[2-methoxy-5-[[(5-methyl-2-thiophenyl)methylammonio]methyl]phenoxy]propyl]-methyl-propan-2-ylammonium IUPAC Name: [(2R)-2-hydroxy-3-[2-methoxy-5-[[(5-methylthiophen-2-yl)methylazaniumyl]methyl]phenoxy]propyl]-methyl-propan-2-ylazanium Traditional Name: [(2R)-2-hydroxy-3-[2-methoxy-5-[[(5-methyl-2-thienyl)methylammonio]methyl]phenoxy]propyl]-isopropyl-methyl-ammonium Formula: C21H34N2O3S+2 MolecularWeight: 394.57126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C[NH2+]CC2=CC(=C(C=C2)OC)OCC(C[NH+](C)C(C)C)O

Isomeric SMILES

CC1=CC=C(S1)C[NH2+]CC2=CC(=C(C=C2)OC)OC[C@@H](C[NH+](C)C(C)C)O

InChI

InChI=1S/C21H32N2O3S/c1-15(2)23(4)13-18(24)14-26-21-10-17(7-9-20(21)25-5)11-22-12-19-8-6-16(3)27-19/h6-10,15,18,22,24H,11-14H2,1-5H3/p+2/t18-/m1/s1