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

Systemtic Name: (4-methoxyphenyl)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]-[(4-methoxyphenyl)methyl]ammonium CAS Name: (4-methoxyphenyl)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]-[(4-methoxyphenyl)methyl]azanium Traditional Name: [(1R)-2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]-p-anisyl-ammonium Formula: C22H31N3O2+2 MolecularWeight: 369.50044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)[NH2+]CC3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)[NH2+]CC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H29N3O2/c1-18(23-16-19-8-10-21(27-2)11-9-19)22(26)25-14-12-24(13-15-25)17-20-6-4-3-5-7-20/h3-11,18,23H,12-17H2,1-2H3/p+2/t18-/m1/s1