(5-chloranyl-2,4-dimethoxy-phenyl)-[(2S)-1-(4-ethylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: (5-chloranyl-2,4-dimethoxy-phenyl)-[(2S)-1-(4-ethylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: (5-chloro-2,4-dimethoxy-phenyl)-[(1S)-2-(4-ethylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]ammonium CAS Name: (5-chloro-2,4-dimethoxyphenyl)-[(2S)-1-(4-ethyl-1-piperazinyl)-1-oxopropan-2-yl]ammonium IUPAC Name: (5-chloro-2,4-dimethoxyphenyl)-[(2S)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]azanium Traditional Name: (5-chloro-2,4-dimethoxy-phenyl)-[(1S)-2-(4-ethylpiperazino)-2-keto-1-methyl-ethyl]ammonium Formula: C17H27ClN3O3+ MolecularWeight: 356.86758

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(C)[NH2+]C2=CC(=C(C=C2OC)OC)Cl

Isomeric SMILES

CCN1CCN(CC1)C(=O)[C@H](C)[NH2+]C2=CC(=C(C=C2OC)OC)Cl

InChI

InChI=1S/C17H26ClN3O3/c1-5-20-6-8-21(9-7-20)17(22)12(2)19-14-10-13(18)15(23-3)11-16(14)24-4/h10-12,19H,5-9H2,1-4H3/p+1/t12-/m0/s1