1-[3-methoxy-4-[(2S)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]propan-1-one

Systemtic Name: 1-[3-methoxy-4-[(2S)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]propan-1-one Openeye Name: 1-[4-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-phenyl]propan-1-one CAS Name: 1-[4-[(2S)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-3-methoxyphenyl]-1-propanone IUPAC Name: 1-[4-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-3-methoxyphenyl]propan-1-one Traditional Name: 1-[4-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-phenyl]propan-1-one Formula: C17H26NO4+ MolecularWeight: 308.39264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO4/c1-3-15(20)13-6-7-16(17(10-13)21-2)22-12-14(19)11-18-8-4-5-9-18/h6-7,10,14,19H,3-5,8-9,11-12H2,1-2H3/p+1/t14-/m0/s1