N-[4-[3-(azepan-1-ium-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide

Systemtic Name: N-[4-[3-(azepan-1-ium-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide Openeye Name: N-[4-[3-(azepan-1-ium-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide CAS Name: N-[4-[[3-(1-azepan-1-iumyl)propylamino]-oxomethyl]phenyl]-2-furancarboxamide IUPAC Name: N-[4-[3-(azepan-1-ium-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide Traditional Name: N-[4-[3-(azepan-1-ium-1-yl)propylcarbamoyl]phenyl]-2-furamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

C1CCC[NH+](CC1)CCCNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H27N3O3/c25-20(22-12-6-15-24-13-3-1-2-4-14-24)17-8-10-18(11-9-17)23-21(26)19-7-5-16-27-19/h5,7-11,16H,1-4,6,12-15H2,(H,22,25)(H,23,26)/p+1