[(2R)-3-[5-[(1-benzothiophen-2-ylmethylazaniumyl)methyl]-2-methoxy-phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium

Systemtic Name: [(2R)-3-[5-[(1-benzothiophen-2-ylmethylazaniumyl)methyl]-2-methoxy-phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium Openeye Name: [(2R)-3-[5-[(benzothiophen-2-ylmethylammonio)methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]-isopropyl-methyl-ammonium CAS Name: [(2R)-3-[5-[(1-benzothiophen-2-ylmethylammonio)methyl]-2-methoxyphenoxy]-2-hydroxypropyl]-methyl-propan-2-ylammonium IUPAC Name: [(2R)-3-[5-[(1-benzothiophen-2-ylmethylazaniumyl)methyl]-2-methoxyphenoxy]-2-hydroxypropyl]-methyl-propan-2-ylazanium Traditional Name: [(2R)-3-[5-[(benzothiophen-2-ylmethylammonio)methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]-isopropyl-methyl-ammonium Formula: C24H34N2O3S+2 MolecularWeight: 430.60336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](C)CC(COC1=C(C=CC(=C1)C[NH2+]CC2=CC3=CC=CC=C3S2)OC)O

Isomeric SMILES

CC(C)[NH+](C)C[C@H](COC1=C(C=CC(=C1)C[NH2+]CC2=CC3=CC=CC=C3S2)OC)O

InChI

InChI=1S/C24H32N2O3S/c1-17(2)26(3)15-20(27)16-29-23-11-18(9-10-22(23)28-4)13-25-14-21-12-19-7-5-6-8-24(19)30-21/h5-12,17,20,25,27H,13-16H2,1-4H3/p+2/t20-/m1/s1