[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-(3-methylphenyl)methanone

Systemtic Name: [4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-(3-methylphenyl)methanone Openeye Name: [4-(2-furylmethyl)piperazin-4-ium-1-yl]-(m-tolyl)methanone CAS Name: [4-(2-furanylmethyl)-1-piperazin-4-iumyl]-(3-methylphenyl)methanone IUPAC Name: [4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-(3-methylphenyl)methanone Traditional Name: [4-(2-furfuryl)piperazin-4-ium-1-yl]-(m-tolyl)methanone Formula: C17H21N2O2+ MolecularWeight: 285.36084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CO3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CO3

InChI

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