1-[(3S)-3-(furan-2-yl)-4-methyl-pentyl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[(3S)-3-(furan-2-yl)-4-methyl-pentyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[(3S)-3-(2-furyl)-4-methyl-pentyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[(3S)-3-(2-furanyl)-4-methylpentyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[(3S)-3-(furan-2-yl)-4-methylpentyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[(3S)-3-(2-furyl)-4-methyl-pentyl]-4-methyl-piperazine-1,4-diium Formula: C15H28N2O+2 MolecularWeight: 252.39562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC[NH+]1CC[NH+](CC1)C)C2=CC=CO2

Isomeric SMILES

CC(C)[C@H](CC[NH+]1CC[NH+](CC1)C)C2=CC=CO2

InChI

InChI=1S/C15H26N2O/c1-13(2)14(15-5-4-12-18-15)6-7-17-10-8-16(3)9-11-17/h4-5,12-14H,6-11H2,1-3H3/p+2/t14-/m0/s1