(3,5-dimethylphenyl)-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3,5-dimethylphenyl)-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3,5-dimethylphenyl)-[4-(2-furylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3,5-dimethylphenyl)-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3,5-dimethylphenyl)-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3,5-dimethylphenyl)-[4-(2-furfuryl)piperazin-4-ium-1-yl]methanone Formula: C18H23N2O2+ MolecularWeight: 299.38742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CO3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CO3)C

InChI

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