4-[[3-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methyl]-3,3-dimethyl-piperazin-4-ium-2-one

Systemtic Name: 4-[[3-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methyl]-3,3-dimethyl-piperazin-4-ium-2-one Openeye Name: 4-[[3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-phenyl]methyl]-3,3-dimethyl-piperazin-4-ium-2-one CAS Name: 4-[[3-[(2R)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl]-3,3-dimethyl-2-piperazin-4-iumone IUPAC Name: 4-[[3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl]-3,3-dimethylpiperazin-4-ium-2-one Traditional Name: 4-[3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-benzyl]-3,3-dimethyl-piperazin-4-ium-2-one Formula: C24H41N3O4+2 MolecularWeight: 435.60004

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NCC[NH+]1CC2=CC(=C(C=C2)OC)OCC(C[NH+]3CCCCCCC3)O)C

Isomeric SMILES

CC1(C(=O)NCC[NH+]1CC2=CC(=C(C=C2)OC)OC[C@@H](C[NH+]3CCCCCCC3)O)C

InChI

InChI=1S/C24H39N3O4/c1-24(2)23(29)25-11-14-27(24)16-19-9-10-21(30-3)22(15-19)31-18-20(28)17-26-12-7-5-4-6-8-13-26/h9-10,15,20,28H,4-8,11-14,16-18H2,1-3H3,(H,25,29)/p+2/t20-/m1/s1