1,3-benzoxazol-2-ylmethyl-[[3-methoxy-4-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium

Systemtic Name: 1,3-benzoxazol-2-ylmethyl-[[3-methoxy-4-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: 1,3-benzoxazol-2-ylmethyl-[[4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: 1,3-benzoxazol-2-ylmethyl-[[4-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: 1,3-benzoxazol-2-ylmethyl-[[4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: 1,3-benzoxazol-2-ylmethyl-[4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-benzyl]ammonium Formula: C23H31N3O4+2 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC2=NC3=CC=CC=C3O2)OCC(C[NH+]4CCCC4)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC2=NC3=CC=CC=C3O2)OC[C@@H](C[NH+]4CCCC4)O

InChI

InChI=1S/C23H29N3O4/c1-28-22-12-17(13-24-14-23-25-19-6-2-3-7-20(19)30-23)8-9-21(22)29-16-18(27)15-26-10-4-5-11-26/h2-3,6-9,12,18,24,27H,4-5,10-11,13-16H2,1H3/p+2/t18-/m1/s1