3,4-dimethyl-N-[2-oxidanylidene-2-[[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]benzamide

Systemtic Name: 3,4-dimethyl-N-[2-oxidanylidene-2-[[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]benzamide Openeye Name: 3,4-dimethyl-N-[2-oxo-2-[[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]amino]ethyl]benzamide CAS Name: 3,4-dimethyl-N-[2-oxo-2-[[4-(1-piperidin-1-iumylmethyl)-2-thiazolyl]amino]ethyl]benzamide IUPAC Name: 3,4-dimethyl-N-[2-oxo-2-[[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]benzamide Traditional Name: N-[2-keto-2-[[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]amino]ethyl]-3,4-dimethyl-benzamide Formula: C20H27N4O2S+ MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=NC(=CS2)C[NH+]3CCCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=NC(=CS2)C[NH+]3CCCCC3)C

InChI

InChI=1S/C20H26N4O2S/c1-14-6-7-16(10-15(14)2)19(26)21-11-18(25)23-20-22-17(13-27-20)12-24-8-4-3-5-9-24/h6-7,10,13H,3-5,8-9,11-12H2,1-2H3,(H,21,26)(H,22,23,25)/p+1