1-[(2-methyl-5-piperazin-4-ium-1-ylcarbonyl-furan-3-yl)methyl]piperidin-1-ium-4-one

Systemtic Name: 1-[(2-methyl-5-piperazin-4-ium-1-ylcarbonyl-furan-3-yl)methyl]piperidin-1-ium-4-one Openeye Name: 1-[[2-methyl-5-(piperazin-4-ium-1-carbonyl)-3-furyl]methyl]piperidin-1-ium-4-one CAS Name: 1-[[2-methyl-5-[oxo(1-piperazin-4-iumyl)methyl]-3-furanyl]methyl]-4-piperidin-1-iumone IUPAC Name: 1-[[2-methyl-5-(piperazin-4-ium-1-carbonyl)furan-3-yl]methyl]piperidin-1-ium-4-one Traditional Name: 1-[[2-methyl-5-(piperazin-4-ium-1-carbonyl)-3-furyl]methyl]piperidin-1-ium-4-one Formula: C16H25N3O3+2 MolecularWeight: 307.388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)N2CC[NH2+]CC2)C[NH+]3CCC(=O)CC3

Isomeric SMILES

CC1=C(C=C(O1)C(=O)N2CC[NH2+]CC2)C[NH+]3CCC(=O)CC3

InChI

InChI=1S/C16H23N3O3/c1-12-13(11-18-6-2-14(20)3-7-18)10-15(22-12)16(21)19-8-4-17-5-9-19/h10,17H,2-9,11H2,1H3/p+2