(2S)-2-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: (2S)-2-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: (2S)-2-(5-chloro-2,4-dimethoxy-anilino)-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one CAS Name: (2S)-2-(5-chloro-2,4-dimethoxyanilino)-1-(4-ethyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: (2S)-2-(5-chloro-2,4-dimethoxyanilino)-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: (2S)-2-(5-chloro-2,4-dimethoxy-anilino)-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Formula: C17H27ClN3O3+ MolecularWeight: 356.86758

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)NC2=CC(=C(C=C2OC)OC)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](C)NC2=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