[3-methoxy-4-[(2S)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-[2-(2-oxidanylidenepiperidin-1-yl)ethyl]azanium

Systemtic Name: [3-methoxy-4-[(2S)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-[2-(2-oxidanylidenepiperidin-1-yl)ethyl]azanium Openeye Name: [4-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-phenyl]methyl-[2-(2-oxo-1-piperidyl)ethyl]ammonium CAS Name: [4-[(2S)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-3-methoxyphenyl]methyl-[2-(2-oxo-1-piperidinyl)ethyl]ammonium IUPAC Name: [4-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-3-methoxyphenyl]methyl-[2-(2-oxopiperidin-1-yl)ethyl]azanium Traditional Name: [4-[(2S)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-3-methoxy-benzyl]-[2-(2-ketopiperidino)ethyl]ammonium Formula: C22H37N3O4+2 MolecularWeight: 407.54688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCN2CCCCC2=O)OCC(C[NH+]3CCCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCN2CCCCC2=O)OC[C@H](C[NH+]3CCCC3)O

InChI

InChI=1S/C22H35N3O4/c1-28-21-14-18(15-23-9-13-25-12-3-2-6-22(25)27)7-8-20(21)29-17-19(26)16-24-10-4-5-11-24/h7-8,14,19,23,26H,2-6,9-13,15-17H2,1H3/p+2/t19-/m0/s1