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

Systemtic Name: 3,4-dimethoxy-N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide Openeye Name: 3,4-dimethoxy-N-[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]benzamide CAS Name: 3,4-dimethoxy-N-[4-(1-pyrrolidin-1-iumylmethyl)-2-thiazolyl]benzamide IUPAC Name: 3,4-dimethoxy-N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide Traditional Name: 3,4-dimethoxy-N-[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]benzamide Formula: C17H22N3O3S+ MolecularWeight: 348.43988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)C[NH+]3CCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)C[NH+]3CCCC3)OC

InChI

InChI=1S/C17H21N3O3S/c1-22-14-6-5-12(9-15(14)23-2)16(21)19-17-18-13(11-24-17)10-20-7-3-4-8-20/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,18,19,21)/p+1