N-(2,5-dimethylphenyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2,5-dimethylphenyl)acetamide CAS Name: N-(2,5-dimethylphenyl)-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2,5-dimethylphenyl)acetamide Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2,5-dimethylphenyl)acetamide Formula: C21H29N3O+2 MolecularWeight: 339.47446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O/c1-17-8-9-18(2)20(14-17)22-21(25)16-24-12-10-23(11-13-24)15-19-6-4-3-5-7-19/h3-9,14H,10-13,15-16H2,1-2H3,(H,22,25)/p+2