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

Systemtic Name: (4-chloranyl-2-methoxy-5-methyl-phenyl)-[(2S)-1-(4-ethylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: (4-chloro-2-methoxy-5-methyl-phenyl)-[(1S)-2-(4-ethylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]ammonium CAS Name: (4-chloro-2-methoxy-5-methylphenyl)-[(2S)-1-(4-ethyl-1-piperazinyl)-1-oxopropan-2-yl]ammonium IUPAC Name: (4-chloro-2-methoxy-5-methylphenyl)-[(2S)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]azanium Traditional Name: (4-chloro-2-methoxy-5-methyl-phenyl)-[(1S)-2-(4-ethylpiperazino)-2-keto-1-methyl-ethyl]ammonium Formula: C17H27ClN3O2+ MolecularWeight: 340.86818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN1CCN(CC1)C(=O)[C@H](C)[NH2+]C2=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