1-[4-[[4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]-1,4-diazepan-4-ium-1-yl]ethanone

Systemtic Name: 1-[4-[[4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]-1,4-diazepan-4-ium-1-yl]ethanone Openeye Name: 1-[4-[[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl]-1,4-diazepan-4-ium-1-yl]ethanone CAS Name: 1-[4-[[3-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl]-1,4-diazepan-4-ium-1-yl]ethanone IUPAC Name: 1-[4-[[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl]-1,4-diazepan-4-ium-1-yl]ethanone Traditional Name: 1-[4-[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-1,4-diazepan-4-ium-1-yl]ethanone Formula: C23H39N3O4+2 MolecularWeight: 421.57346

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC[NH+](CC1)CC2=CC(=C(C=C2)OC)OCC(C[NH+]3CCCCC3)O

Isomeric SMILES

CC(=O)N1CCC[NH+](CC1)CC2=CC(=C(C=C2)OC)OC[C@@H](C[NH+]3CCCCC3)O

InChI

InChI=1S/C23H37N3O4/c1-19(27)26-12-6-11-25(13-14-26)16-20-7-8-22(29-2)23(15-20)30-18-21(28)17-24-9-4-3-5-10-24/h7-8,15,21,28H,3-6,9-14,16-18H2,1-2H3/p+2/t21-/m1/s1