2-[4-[3-(phenoxymethyl)furan-2-yl]carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[3-(phenoxymethyl)furan-2-yl]carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[3-(phenoxymethyl)furan-2-carbonyl]piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[oxo-[3-(phenoxymethyl)-2-furanyl]methyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[3-(phenoxymethyl)furan-2-carbonyl]piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[3-(phenoxymethyl)-2-furoyl]piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C23H30N3O4+ MolecularWeight: 412.502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C=CO3)COC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C=CO3)COC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O4/c27-21(25-10-5-2-6-11-25)17-24-12-14-26(15-13-24)23(28)22-19(9-16-29-22)18-30-20-7-3-1-4-8-20/h1,3-4,7-9,16H,2,5-6,10-15,17-18H2/p+1