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

Systemtic Name: N-[(4-dimethylaminophenyl)methylideneamino]-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(4-dimethylaminophenyl)methyleneamino]acetamide CAS Name: N-[(4-dimethylaminophenyl)methylideneamino]-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(4-dimethylaminophenyl)methylideneamino]acetamide Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[[4-(dimethylamino)benzylidene]amino]acetamide Formula: C22H31N5O+2 MolecularWeight: 381.51444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O/c1-25(2)21-10-8-19(9-11-21)16-23-24-22(28)18-27-14-12-26(13-15-27)17-20-6-4-3-5-7-20/h3-11,16H,12-15,17-18H2,1-2H3,(H,24,28)/p+2