N-[1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]furan-2-carboxamide

Systemtic Name: N-[1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]furan-2-carboxamide Openeye Name: N-[1-[2-(indan-5-ylamino)-2-oxo-ethyl]piperidin-1-ium-4-yl]furan-2-carboxamide CAS Name: N-[1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-4-piperidin-1-iumyl]-2-furancarboxamide IUPAC Name: N-[1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]piperidin-1-ium-4-yl]furan-2-carboxamide Traditional Name: N-[1-[2-(indan-5-ylamino)-2-keto-ethyl]piperidin-1-ium-4-yl]-2-furamide Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)NC(=O)C[NH+]3CCC(CC3)NC(=O)C4=CC=CO4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC(=O)C[NH+]3CCC(CC3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C21H25N3O3/c25-20(22-18-7-6-15-3-1-4-16(15)13-18)14-24-10-8-17(9-11-24)23-21(26)19-5-2-12-27-19/h2,5-7,12-13,17H,1,3-4,8-11,14H2,(H,22,25)(H,23,26)/p+1