(2,5-dimethylfuran-3-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (2,5-dimethylfuran-3-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(2,5-dimethyl-3-furyl)methanone CAS Name: (2,5-dimethyl-3-furanyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(2,5-dimethylfuran-3-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(2,5-dimethyl-3-furyl)methanone Formula: C18H23N2O2+ MolecularWeight: 299.38742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(O1)C)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H22N2O2/c1-14-12-17(15(2)22-14)18(21)20-10-8-19(9-11-20)13-16-6-4-3-5-7-16/h3-7,12H,8-11,13H2,1-2H3/p+1