cyclohexyl-[(2R)-3-[4-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-2-methoxy-phenoxy]-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: cyclohexyl-[(2R)-3-[4-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-2-methoxy-phenoxy]-2-oxidanyl-propyl]-methyl-azanium Openeye Name: [(2R)-3-[4-[(4-acetylpiperazin-1-ium-1-yl)methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]-cyclohexyl-methyl-ammonium CAS Name: [(2R)-3-[4-[(4-acetyl-1-piperazin-1-iumyl)methyl]-2-methoxyphenoxy]-2-hydroxypropyl]-cyclohexyl-methylammonium IUPAC Name: [(2R)-3-[4-[(4-acetylpiperazin-1-ium-1-yl)methyl]-2-methoxyphenoxy]-2-hydroxypropyl]-cyclohexyl-methylazanium Traditional Name: [(2R)-3-[4-[(4-acetylpiperazin-1-ium-1-yl)methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]-cyclohexyl-methyl-ammonium Formula: C24H41N3O4+2 MolecularWeight: 435.60004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=CC(=C(C=C2)OCC(C[NH+](C)C3CCCCC3)O)OC

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=CC(=C(C=C2)OC[C@@H](C[NH+](C)C3CCCCC3)O)OC

InChI

InChI=1S/C24H39N3O4/c1-19(28)27-13-11-26(12-14-27)16-20-9-10-23(24(15-20)30-3)31-18-22(29)17-25(2)21-7-5-4-6-8-21/h9-10,15,21-22,29H,4-8,11-14,16-18H2,1-3H3/p+2/t22-/m1/s1