N-(2-ethyl-6-methyl-phenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]acetamide Formula: C24H35N3O3+2 MolecularWeight: 413.553

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C[NH+]2CC[NH+](CC2)CCOC3=CC=C(C=C3)OC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C[NH+]2CC[NH+](CC2)CCOC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C24H33N3O3/c1-4-20-7-5-6-19(2)24(20)25-23(28)18-27-14-12-26(13-15-27)16-17-30-22-10-8-21(29-3)9-11-22/h5-11H,4,12-18H2,1-3H3,(H,25,28)/p+2