N-(4-methoxyphenyl)-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: N-(4-methoxyphenyl)-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-carboxamide Openeye Name: N-(4-methoxyphenyl)-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: N-(4-methoxyphenyl)-5-(1-pyrrolidin-1-iumylmethyl)-1,3,4-thiadiazole-2-carboxamide IUPAC Name: N-(4-methoxyphenyl)-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-carboxamide Traditional Name: N-(4-methoxyphenyl)-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-carboxamide Formula: C15H19N4O2S+ MolecularWeight: 319.40196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)C[NH+]3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)C[NH+]3CCCC3

InChI

InChI=1S/C15H18N4O2S/c1-21-12-6-4-11(5-7-12)16-14(20)15-18-17-13(22-15)10-19-8-2-3-9-19/h4-7H,2-3,8-10H2,1H3,(H,16,20)/p+1