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

Systemtic Name: 1-(2,5-dimethylphenyl)-4-[(3R)-3-(5-methylfuran-2-yl)butyl]piperazin-4-ium Openeye Name: 1-(2,5-dimethylphenyl)-4-[(3R)-3-(5-methyl-2-furyl)butyl]piperazin-4-ium CAS Name: 1-(2,5-dimethylphenyl)-4-[(3R)-3-(5-methyl-2-furanyl)butyl]piperazin-4-ium IUPAC Name: 1-(2,5-dimethylphenyl)-4-[(3R)-3-(5-methylfuran-2-yl)butyl]piperazin-4-ium Traditional Name: 1-(2,5-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=CC(=C(C=C1)C)N2CC[NH+](CC2)CCC(C)C3=CC=C(O3)C

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O/c1-16-5-6-17(2)20(15-16)23-13-11-22(12-14-23)10-9-18(3)21-8-7-19(4)24-21/h5-8,15,18H,9-14H2,1-4H3/p+1/t18-/m1/s1