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

Systemtic Name: N-[2-methyl-5-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]carbonyl-phenyl]furan-2-carboxamide Openeye Name: N-[2-methyl-5-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]phenyl]furan-2-carboxamide CAS Name: N-[2-methyl-5-[oxo-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methyl]phenyl]-2-furancarboxamide IUPAC Name: N-[2-methyl-5-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]phenyl]furan-2-carboxamide Traditional Name: N-[2-methyl-5-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]phenyl]-2-furamide Formula: C25H28N3O4+ MolecularWeight: 434.50752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C25H27N3O4/c1-19-9-10-20(18-22(19)26-24(29)23-8-5-16-32-23)25(30)28-13-11-27(12-14-28)15-17-31-21-6-3-2-4-7-21/h2-10,16,18H,11-15,17H2,1H3,(H,26,29)/p+1