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

Systemtic Name: [4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]-(5-methylfuran-2-yl)methanone Openeye Name: [4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]-(5-methyl-2-furyl)methanone CAS Name: [4-[(3,4-dichlorophenyl)methyl]-1-piperazin-4-iumyl]-(5-methyl-2-furanyl)methanone IUPAC Name: [4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]-(5-methylfuran-2-yl)methanone Traditional Name: [4-(3,4-dichlorobenzyl)piperazin-4-ium-1-yl]-(5-methyl-2-furyl)methanone Formula: C17H19Cl2N2O2+ MolecularWeight: 354.25096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18Cl2N2O2/c1-12-2-5-16(23-12)17(22)21-8-6-20(7-9-21)11-13-3-4-14(18)15(19)10-13/h2-5,10H,6-9,11H2,1H3/p+1