[1-(furan-2-ylcarbonyl)piperidin-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [1-(furan-2-ylcarbonyl)piperidin-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[1-(furan-2-carbonyl)-4-piperidyl]methanone CAS Name: [1-[2-furanyl(oxo)methyl]-4-piperidinyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[1-(furan-2-carbonyl)piperidin-4-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[1-(2-furoyl)-4-piperidyl]methanone Formula: C22H28N3O3+ MolecularWeight: 382.47602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)C4=CC=CO4

InChI

InChI=1S/C22H27N3O3/c26-21(19-8-10-24(11-9-19)22(27)20-7-4-16-28-20)25-14-12-23(13-15-25)17-18-5-2-1-3-6-18/h1-7,16,19H,8-15,17H2/p+1