[5-(phenoxymethyl)furan-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [5-(phenoxymethyl)furan-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [5-(phenoxymethyl)-2-furyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [5-(phenoxymethyl)-2-furanyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [5-(phenoxymethyl)furan-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [5-(phenoxymethyl)-2-furyl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C21H22N3O3+ MolecularWeight: 364.41768

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=C(O3)COC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=C(O3)COC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O3/c25-21(24-14-12-23(13-15-24)20-8-4-5-11-22-20)19-10-9-18(27-19)16-26-17-6-2-1-3-7-17/h1-11H,12-16H2/p+1