N-[4-methyl-5-[[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]carbonyl]thiophen-2-yl]furan-2-carboxamide

Systemtic Name: N-[4-methyl-5-[[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]carbonyl]thiophen-2-yl]furan-2-carboxamide Openeye Name: N-[5-(4-benzyl-1,4-diazepan-4-ium-1-carbonyl)-4-methyl-2-thienyl]furan-2-carboxamide CAS Name: N-[4-methyl-5-[oxo-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methyl]-2-thiophenyl]-2-furancarboxamide IUPAC Name: N-[5-(4-benzyl-1,4-diazepan-4-ium-1-carbonyl)-4-methylthiophen-2-yl]furan-2-carboxamide Traditional Name: N-[5-(4-benzyl-1,4-diazepan-4-ium-1-carbonyl)-4-methyl-2-thienyl]-2-furamide Formula: C23H26N3O3S+ MolecularWeight: 424.53584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C2=CC=CO2)C(=O)N3CCC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C2=CC=CO2)C(=O)N3CCC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O3S/c1-17-15-20(24-22(27)19-9-5-14-29-19)30-21(17)23(28)26-11-6-10-25(12-13-26)16-18-7-3-2-4-8-18/h2-5,7-9,14-15H,6,10-13,16H2,1H3,(H,24,27)/p+1