1-(2,3-dimethylphenyl)-4-(furan-3-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(2,3-dimethylphenyl)-4-(furan-3-ylmethyl)piperazin-4-ium Openeye Name: 1-(2,3-dimethylphenyl)-4-(3-furylmethyl)piperazin-4-ium CAS Name: 1-(2,3-dimethylphenyl)-4-(3-furanylmethyl)piperazin-4-ium IUPAC Name: 1-(2,3-dimethylphenyl)-4-(furan-3-ylmethyl)piperazin-4-ium Traditional Name: 1-(2,3-dimethylphenyl)-4-(3-furfuryl)piperazin-4-ium Formula: C17H23N2O+ MolecularWeight: 271.37732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=COC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=COC=C3)C

InChI

InChI=1S/C17H22N2O/c1-14-4-3-5-17(15(14)2)19-9-7-18(8-10-19)12-16-6-11-20-13-16/h3-6,11,13H,7-10,12H2,1-2H3/p+1