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

Systemtic Name: (2,5-dimethylfuran-3-yl)-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (2,5-dimethyl-3-furyl)-[4-(p-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (2,5-dimethyl-3-furanyl)-[4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2,5-dimethylfuran-3-yl)-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (2,5-dimethyl-3-furyl)-[4-(4-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C19H25N2O2+ MolecularWeight: 313.414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=C(OC(=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=C(OC(=C3)C)C

InChI

InChI=1S/C19H24N2O2/c1-14-4-6-17(7-5-14)13-20-8-10-21(11-9-20)19(22)18-12-15(2)23-16(18)3/h4-7,12H,8-11,13H2,1-3H3/p+1