2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(2R)-3-methylbutan-2-yl]ethanamide

Systemtic Name: 2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(2R)-3-methylbutan-2-yl]ethanamide Openeye Name: N-[(1R)-1,2-dimethylpropyl]-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)-3-methylbutan-2-yl]acetamide IUPAC Name: 2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide Traditional Name: N-[(1R)-1,2-dimethylpropyl]-2-[4-(2-methoxy-5-methyl-benzyl)piperazine-1,4-diium-1-yl]acetamide Formula: C20H35N3O2+2 MolecularWeight: 349.5108

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3O2/c1-15(2)17(4)21-20(24)14-23-10-8-22(9-11-23)13-18-12-16(3)6-7-19(18)25-5/h6-7,12,15,17H,8-11,13-14H2,1-5H3,(H,21,24)/p+2/t17-/m1/s1