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

Systemtic Name: 3,4,5-triethoxy-N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide Openeye Name: 3,4,5-triethoxy-N-[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]benzamide CAS Name: 3,4,5-triethoxy-N-[4-(1-pyrrolidin-1-iumylmethyl)-2-thiazolyl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide Traditional Name: 3,4,5-triethoxy-N-[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]benzamide Formula: C21H30N3O4S+ MolecularWeight: 420.5456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=NC(=CS2)C[NH+]3CCCC3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=NC(=CS2)C[NH+]3CCCC3

InChI

InChI=1S/C21H29N3O4S/c1-4-26-17-11-15(12-18(27-5-2)19(17)28-6-3)20(25)23-21-22-16(14-29-21)13-24-9-7-8-10-24/h11-12,14H,4-10,13H2,1-3H3,(H,22,23,25)/p+1