2-(4-methoxyphenoxy)ethyl-methyl-[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]azanium

Systemtic Name: 2-(4-methoxyphenoxy)ethyl-methyl-[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]azanium Openeye Name: [(1R)-2-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl]-[2-(4-methoxyphenoxy)ethyl]-methyl-ammonium CAS Name: 2-(4-methoxyphenoxy)ethyl-methyl-[(2R)-1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]propan-2-yl]ammonium IUPAC Name: [(2R)-1-(4-benzylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-[2-(4-methoxyphenoxy)ethyl]-methylazanium Traditional Name: [(1R)-2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]-[2-(4-methoxyphenoxy)ethyl]-methyl-ammonium Formula: C24H35N3O3+2 MolecularWeight: 413.553

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)[NH+](C)CCOC3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)[NH+](C)CCOC3=CC=C(C=C3)OC

InChI

InChI=1S/C24H33N3O3/c1-20(25(2)17-18-30-23-11-9-22(29-3)10-12-23)24(28)27-15-13-26(14-16-27)19-21-7-5-4-6-8-21/h4-12,20H,13-19H2,1-3H3/p+2/t20-/m1/s1