1-[2-(3-chloranyl-4-methyl-phenyl)imino-4-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazol-5-yl]ethanone

Systemtic Name: 1-[2-(3-chloranyl-4-methyl-phenyl)imino-4-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazol-5-yl]ethanone Openeye Name: 1-[2-(3-chloro-4-methyl-phenyl)imino-4-methyl-3-(3-morpholin-4-ium-4-ylpropyl)thiazol-5-yl]ethanone CAS Name: 1-[2-(3-chloro-4-methylphenyl)imino-4-methyl-3-[3-(4-morpholin-4-iumyl)propyl]-5-thiazolyl]ethanone IUPAC Name: 1-[2-(3-chloro-4-methylphenyl)imino-4-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazol-5-yl]ethanone Traditional Name: 1-[2-(3-chloro-4-methyl-phenyl)imino-4-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-4-thiazolin-5-yl]ethanone Formula: C20H27ClN3O2S+ MolecularWeight: 408.96528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N=C2N(C(=C(S2)C(=O)C)C)CCC[NH+]3CCOCC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N=C2N(C(=C(S2)C(=O)C)C)CCC[NH+]3CCOCC3)Cl

InChI

InChI=1S/C20H26ClN3O2S/c1-14-5-6-17(13-18(14)21)22-20-24(15(2)19(27-20)16(3)25)8-4-7-23-9-11-26-12-10-23/h5-6,13H,4,7-12H2,1-3H3/p+1