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

Systemtic Name: (2S)-2-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: (2S)-2-(4-chloro-2-methoxy-5-methyl-anilino)-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one CAS Name: (2S)-2-(4-chloro-2-methoxy-5-methylanilino)-1-(4-ethyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: (2S)-2-(4-chloro-2-methoxy-5-methylanilino)-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: (2S)-2-(4-chloro-2-methoxy-5-methyl-anilino)-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Formula: C17H27ClN3O2+ MolecularWeight: 340.86818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26ClN3O2/c1-5-20-6-8-21(9-7-20)17(22)13(3)19-15-10-12(2)14(18)11-16(15)23-4/h10-11,13,19H,5-9H2,1-4H3/p+1/t13-/m0/s1