(2S)-2-[(2,4-dimethoxyphenyl)amino]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: (2S)-2-[(2,4-dimethoxyphenyl)amino]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: (2S)-2-(2,4-dimethoxyanilino)-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one CAS Name: (2S)-2-(2,4-dimethoxyanilino)-1-(4-ethyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: (2S)-2-(2,4-dimethoxyanilino)-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: (2S)-2-(2,4-dimethoxyanilino)-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Formula: C17H28N3O3+ MolecularWeight: 322.42252

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)NC2=C(C=C(C=C2)OC)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](C)NC2=C(C=C(C=C2)OC)OC

InChI

InChI=1S/C17H27N3O3/c1-5-19-8-10-20(11-9-19)17(21)13(2)18-15-7-6-14(22-3)12-16(15)23-4/h6-7,12-13,18H,5,8-11H2,1-4H3/p+1/t13-/m0/s1