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

Systemtic Name: (3-methoxyphenyl)methyl-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]-[(3-methoxyphenyl)methyl]-methyl-ammonium CAS Name: (3-methoxyphenyl)methyl-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]-[(3-methoxyphenyl)methyl]-methylazanium Traditional Name: [(1R)-2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]-m-anisyl-methyl-ammonium Formula: C23H33N3O2+2 MolecularWeight: 383.52702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)[NH+](C)CC3=CC(=CC=C3)OC

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)[NH+](C)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C23H31N3O2/c1-19(24(2)17-21-10-7-11-22(16-21)28-3)23(27)26-14-12-25(13-15-26)18-20-8-5-4-6-9-20/h4-11,16,19H,12-15,17-18H2,1-3H3/p+2/t19-/m1/s1