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

Systemtic Name: N-[(3-methylphenyl)methylideneamino]-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(m-tolylmethyleneamino)acetamide CAS Name: N-[(3-methylphenyl)methylideneamino]-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(3-methylphenyl)methylideneamino]acetamide Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(3-methylbenzylidene)amino]acetamide Formula: C21H28N4O+2 MolecularWeight: 352.47322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O/c1-18-6-5-9-20(14-18)15-22-23-21(26)17-25-12-10-24(11-13-25)16-19-7-3-2-4-8-19/h2-9,14-15H,10-13,16-17H2,1H3,(H,23,26)/p+2