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

Systemtic Name: 1-[2-(4-ethylphenyl)imino-4-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazol-5-yl]ethanone Openeye Name: 1-[2-(4-ethylphenyl)imino-4-methyl-3-(3-morpholin-4-ium-4-ylpropyl)thiazol-5-yl]ethanone CAS Name: 1-[2-(4-ethylphenyl)imino-4-methyl-3-[3-(4-morpholin-4-iumyl)propyl]-5-thiazolyl]ethanone IUPAC Name: 1-[2-(4-ethylphenyl)imino-4-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazol-5-yl]ethanone Traditional Name: 1-[2-(4-ethylphenyl)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:

CCC1=CC=C(C=C1)N=C2N(C(=C(S2)C(=O)C)C)CCC[NH+]3CCOCC3

Isomeric SMILES

CCC1=CC=C(C=C1)N=C2N(C(=C(S2)C(=O)C)C)CCC[NH+]3CCOCC3

InChI

InChI=1S/C21H29N3O2S/c1-4-18-6-8-19(9-7-18)22-21-24(16(2)20(27-21)17(3)25)11-5-10-23-12-14-26-15-13-23/h6-9H,4-5,10-15H2,1-3H3/p+1