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

Systemtic Name: [4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(2,5-dimethylfuran-3-yl)methanone Openeye Name: [4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(2,5-dimethyl-3-furyl)methanone CAS Name: [4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]-(2,5-dimethyl-3-furanyl)methanone IUPAC Name: [4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(2,5-dimethylfuran-3-yl)methanone Traditional Name: [4-(2-chlorobenzyl)piperazin-4-ium-1-yl]-(2,5-dimethyl-3-furyl)methanone Formula: C18H22ClN2O2+ MolecularWeight: 333.83248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC(=C(O1)C)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C18H21ClN2O2/c1-13-11-16(14(2)23-13)18(22)21-9-7-20(8-10-21)12-15-5-3-4-6-17(15)19/h3-6,11H,7-10,12H2,1-2H3/p+1