N-[4,5-dimethyl-3-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]thiophen-2-yl]furan-2-carboxamide

Systemtic Name: N-[4,5-dimethyl-3-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]thiophen-2-yl]furan-2-carboxamide Openeye Name: N-[3-[(4-benzylpiperazin-1-ium-1-yl)methyl]-4,5-dimethyl-2-thienyl]furan-2-carboxamide CAS Name: N-[4,5-dimethyl-3-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-2-thiophenyl]-2-furancarboxamide IUPAC Name: N-[3-[(4-benzylpiperazin-1-ium-1-yl)methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide Traditional Name: N-[3-[(4-benzylpiperazin-1-ium-1-yl)methyl]-4,5-dimethyl-2-thienyl]-2-furamide Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C[NH+]2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC=CO4)C

Isomeric SMILES

CC1=C(SC(=C1C[NH+]2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC=CO4)C

InChI

InChI=1S/C23H27N3O2S/c1-17-18(2)29-23(24-22(27)21-9-6-14-28-21)20(17)16-26-12-10-25(11-13-26)15-19-7-4-3-5-8-19/h3-9,14H,10-13,15-16H2,1-2H3,(H,24,27)/p+1