tert-butyl-[[3-methoxy-4-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium

Systemtic Name: tert-butyl-[[3-methoxy-4-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: tert-butyl-[[4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: tert-butyl-[[4-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: tert-butyl-[[4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: tert-butyl-[4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-benzyl]ammonium Formula: C19H34N2O3+2 MolecularWeight: 338.48486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CC1=CC(=C(C=C1)OCC(C[NH+]2CCCC2)O)OC

Isomeric SMILES

CC(C)(C)[NH2+]CC1=CC(=C(C=C1)OC[C@@H](C[NH+]2CCCC2)O)OC

InChI

InChI=1S/C19H32N2O3/c1-19(2,3)20-12-15-7-8-17(18(11-15)23-4)24-14-16(22)13-21-9-5-6-10-21/h7-8,11,16,20,22H,5-6,9-10,12-14H2,1-4H3/p+2/t16-/m1/s1