N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide

Systemtic Name: N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide Openeye Name: N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-N-(thiazol-2-ylmethyl)-2,3-dihydrobenzofuran-5-carboxamide CAS Name: N-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]-N-(2-thiazolylmethyl)-2,3-dihydrobenzofuran-5-carboxamide IUPAC Name: N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide Traditional Name: N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-N-(thiazol-2-ylmethyl)coumaran-5-carboxamide Formula: C21H30N4O2S+2 MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCN(CC2=NC=CS2)C(=O)C3=CC4=C(C=C3)OCC4

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCN(CC2=NC=CS2)C(=O)C3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C21H28N4O2S/c1-23-9-11-24(12-10-23)7-2-8-25(16-20-22-6-14-28-20)21(26)18-3-4-19-17(15-18)5-13-27-19/h3-4,6,14-15H,2,5,7-13,16H2,1H3/p+2