N-(2,6-diethylphenyl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(2,6-diethylphenyl)-2-[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(2,6-diethylphenyl)-2-[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]acetamide Formula: C24H35N3O+2 MolecularWeight: 381.5542

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3C

InChI

InChI=1S/C24H33N3O/c1-4-20-11-8-12-21(5-2)24(20)25-23(28)18-27-15-13-26(14-16-27)17-22-10-7-6-9-19(22)3/h6-12H,4-5,13-18H2,1-3H3,(H,25,28)/p+2