N-(2-ethoxyphenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(2-ethoxyphenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(2-ethoxyphenyl)-2-[4-(m-tolylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(2-ethoxyphenyl)-2-[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(2-ethoxyphenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: 2-[4-(3-methylbenzyl)piperazine-1,4-diium-1-yl]-N-o-phenetyl-acetamide Formula: C22H31N3O2+2 MolecularWeight: 369.50044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC(=C3)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC(=C3)C

InChI

InChI=1S/C22H29N3O2/c1-3-27-21-10-5-4-9-20(21)23-22(26)17-25-13-11-24(12-14-25)16-19-8-6-7-18(2)15-19/h4-10,15H,3,11-14,16-17H2,1-2H3,(H,23,26)/p+2