1-(2,3-dimethylphenyl)-4-[(3R)-3-(5-methylfuran-2-yl)butyl]piperazin-4-ium

Systemtic Name: 1-(2,3-dimethylphenyl)-4-[(3R)-3-(5-methylfuran-2-yl)butyl]piperazin-4-ium Openeye Name: 1-(2,3-dimethylphenyl)-4-[(3R)-3-(5-methyl-2-furyl)butyl]piperazin-4-ium CAS Name: 1-(2,3-dimethylphenyl)-4-[(3R)-3-(5-methyl-2-furanyl)butyl]piperazin-4-ium IUPAC Name: 1-(2,3-dimethylphenyl)-4-[(3R)-3-(5-methylfuran-2-yl)butyl]piperazin-4-ium Traditional Name: 1-(2,3-dimethylphenyl)-4-[(3R)-3-(5-methyl-2-furyl)butyl]piperazin-4-ium Formula: C21H31N2O+ MolecularWeight: 327.48364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CCC(C)C3=CC=C(O3)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC[C@@H](C)C3=CC=C(O3)C)C

InChI

InChI=1S/C21H30N2O/c1-16-6-5-7-20(19(16)4)23-14-12-22(13-15-23)11-10-17(2)21-9-8-18(3)24-21/h5-9,17H,10-15H2,1-4H3/p+1/t17-/m1/s1