3,4,5-triethoxy-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide

Systemtic Name: 3,4,5-triethoxy-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide Openeye Name: 3,4,5-triethoxy-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]benzamide CAS Name: 3,4,5-triethoxy-N-[4-(1-piperidin-1-iumylmethyl)-2-thiazolyl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide Traditional Name: 3,4,5-triethoxy-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]benzamide Formula: C22H32N3O4S+ MolecularWeight: 434.57218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=NC(=CS2)C[NH+]3CCCCC3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=NC(=CS2)C[NH+]3CCCCC3

InChI

InChI=1S/C22H31N3O4S/c1-4-27-18-12-16(13-19(28-5-2)20(18)29-6-3)21(26)24-22-23-17(15-30-22)14-25-10-8-7-9-11-25/h12-13,15H,4-11,14H2,1-3H3,(H,23,24,26)/p+1