[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-(2-methylphenyl)methanone

Systemtic Name: [4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-(2-methylphenyl)methanone Openeye Name: [4-(2-furylmethyl)piperazin-4-ium-1-yl]-(o-tolyl)methanone CAS Name: [4-(2-furanylmethyl)-1-piperazin-4-iumyl]-(2-methylphenyl)methanone IUPAC Name: [4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-(2-methylphenyl)methanone Traditional Name: [4-(2-furfuryl)piperazin-4-ium-1-yl]-(o-tolyl)methanone Formula: C17H21N2O2+ MolecularWeight: 285.36084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC3=CC=CO3

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC3=CC=CO3

InChI

InChI=1S/C17H20N2O2/c1-14-5-2-3-7-16(14)17(20)19-10-8-18(9-11-19)13-15-6-4-12-21-15/h2-7,12H,8-11,13H2,1H3/p+1