1-[1-[1,3-bis(oxidanylidene)inden-2-ylidene]ethyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[1-[1,3-bis(oxidanylidene)inden-2-ylidene]ethyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[1-(1,3-dioxoindan-2-ylidene)ethyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[1-(1,3-dioxo-2-indenylidene)ethyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[1-(1,3-dioxoinden-2-ylidene)ethyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[1-(1,3-diketoindan-2-ylidene)ethyl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=O)C2=CC=CC=C2C1=O)N3CCC(CC3)(C(=O)N)[NH+]4CCCCC4

Isomeric SMILES

CC(=C1C(=O)C2=CC=CC=C2C1=O)N3CCC(CC3)(C(=O)N)[NH+]4CCCCC4

InChI

InChI=1S/C22H27N3O3/c1-15(18-19(26)16-7-3-4-8-17(16)20(18)27)24-13-9-22(10-14-24,21(23)28)25-11-5-2-6-12-25/h3-4,7-8H,2,5-6,9-14H2,1H3,(H2,23,28)/p+1