[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-methyl-azanium

Systemtic Name: [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-methyl-azanium Openeye Name: [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl]-(2-furylmethyl)-methyl-ammonium CAS Name: [2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-oxoethyl]-(2-furanylmethyl)-methylammonium IUPAC Name: [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium Traditional Name: [2-[4-(2,3-dimethylphenyl)piperazino]-2-keto-ethyl]-(2-furfuryl)-methyl-ammonium Formula: C20H28N3O2+ MolecularWeight: 342.45522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C[NH+](C)CC3=CC=CO3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C[NH+](C)CC3=CC=CO3)C

InChI

InChI=1S/C20H27N3O2/c1-16-6-4-8-19(17(16)2)22-9-11-23(12-10-22)20(24)15-21(3)14-18-7-5-13-25-18/h4-8,13H,9-12,14-15H2,1-3H3/p+1