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

Systemtic Name: N-[4,5-dimethyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide Openeye Name: N-[4,5-dimethyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-2-thienyl]furan-2-carboxamide CAS Name: N-[4,5-dimethyl-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-2-thiophenyl]-2-furancarboxamide IUPAC Name: N-[4,5-dimethyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide Traditional Name: N-[4,5-dimethyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-2-thienyl]-2-furamide Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2S/c1-16-17(2)28-22(23-21(26)20-9-6-14-27-20)19(16)15-24-10-12-25(13-11-24)18-7-4-3-5-8-18/h3-9,14H,10-13,15H2,1-2H3,(H,23,26)/p+1