2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(2R)-5-methylhexan-2-yl]ethanamide

Systemtic Name: 2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(2R)-5-methylhexan-2-yl]ethanamide Openeye Name: N-[(1R)-1,4-dimethylpentyl]-2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: 2-[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-[(2R)-5-methylhexan-2-yl]acetamide IUPAC Name: 2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(2R)-5-methylhexan-2-yl]acetamide Traditional Name: N-[(1R)-1,4-dimethylpentyl]-2-[4-(2-methoxy-5-methyl-benzyl)piperazine-1,4-diium-1-yl]acetamide Formula: C22H39N3O2+2 MolecularWeight: 377.56396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CC(=O)NC(C)CCC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CC(=O)N[C@H](C)CCC(C)C

InChI

InChI=1S/C22H37N3O2/c1-17(2)6-8-19(4)23-22(26)16-25-12-10-24(11-13-25)15-20-14-18(3)7-9-21(20)27-5/h7,9,14,17,19H,6,8,10-13,15-16H2,1-5H3,(H,23,26)/p+2/t19-/m1/s1