1-[(5-bromanylfuran-2-yl)methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium

Systemtic Name: 1-[(5-bromanylfuran-2-yl)methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium Openeye Name: 1-[(5-bromo-2-furyl)methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium CAS Name: 1-[(5-bromo-2-furanyl)methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium IUPAC Name: 1-[(5-bromofuran-2-yl)methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium Traditional Name: 1-[(5-bromo-2-furyl)methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium Formula: C17H22BrN2O+ MolecularWeight: 350.27338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC=C(O3)Br)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC=C(O3)Br)C

InChI

InChI=1S/C17H21BrN2O/c1-13-4-3-5-16(14(13)2)20-10-8-19(9-11-20)12-15-6-7-17(18)21-15/h3-7H,8-12H2,1-2H3/p+1