N-[2-methyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-phenyl]furan-2-carboxamide

Systemtic Name: N-[2-methyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-phenyl]furan-2-carboxamide Openeye Name: N-[2-methyl-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide CAS Name: N-[2-methyl-5-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenyl]-2-furancarboxamide IUPAC Name: N-[2-methyl-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide Traditional Name: N-[2-methyl-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]-2-furamide Formula: C22H23N4O3+ MolecularWeight: 391.44302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)NC(=O)C4=CC=CO4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C22H22N4O3/c1-16-7-8-17(15-18(16)24-21(27)19-5-4-14-29-19)22(28)26-12-10-25(11-13-26)20-6-2-3-9-23-20/h2-9,14-15H,10-13H2,1H3,(H,24,27)/p+1