5-(3-methyloctyl)-2-[(1-methylpiperazin-1-ium-1-yl)methyl]benzene-1,3-diol

Systemtic Name: 5-(3-methyloctyl)-2-[(1-methylpiperazin-1-ium-1-yl)methyl]benzene-1,3-diol Openeye Name: 5-(3-methyloctyl)-2-[(1-methylpiperazin-1-ium-1-yl)methyl]benzene-1,3-diol CAS Name: 5-(3-methyloctyl)-2-[(1-methyl-1-piperazin-1-iumyl)methyl]benzene-1,3-diol IUPAC Name: 5-(3-methyloctyl)-2-[(1-methylpiperazin-1-ium-1-yl)methyl]benzene-1,3-diol Traditional Name: 5-(3-methyloctyl)-2-[(1-methylpiperazin-1-ium-1-yl)methyl]resorcinol Formula: C21H37N2O2+ MolecularWeight: 349.53068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CCC1=CC(=C(C(=C1)O)C[N+]2(CCNCC2)C)O

Isomeric SMILES

CCCCCC(C)CCC1=CC(=C(C(=C1)O)C[N+]2(CCNCC2)C)O

InChI

InChI=1S/C21H36N2O2/c1-4-5-6-7-17(2)8-9-18-14-20(24)19(21(25)15-18)16-23(3)12-10-22-11-13-23/h14-15,17,22H,4-13,16H2,1-3H3,(H-,24,25)/p+1