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

Systemtic Name: 1-[2-(2,3-dimethylphenyl)imino-4-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazol-5-yl]ethanone Openeye Name: 1-[2-(2,3-dimethylphenyl)imino-4-methyl-3-(3-morpholin-4-ium-4-ylpropyl)thiazol-5-yl]ethanone CAS Name: 1-[2-(2,3-dimethylphenyl)imino-4-methyl-3-[3-(4-morpholin-4-iumyl)propyl]-5-thiazolyl]ethanone IUPAC Name: 1-[2-(2,3-dimethylphenyl)imino-4-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazol-5-yl]ethanone Traditional Name: 1-[2-(2,3-dimethylphenyl)imino-4-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-4-thiazolin-5-yl]ethanone Formula: C21H30N3O2S+ MolecularWeight: 388.5468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O2S/c1-15-7-5-8-19(16(15)2)22-21-24(17(3)20(27-21)18(4)25)10-6-9-23-11-13-26-14-12-23/h5,7-8H,6,9-14H2,1-4H3/p+1