N,N-dimethyl-4-[2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanoylamino]benzamide

Systemtic Name: N,N-dimethyl-4-[2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanoylamino]benzamide Openeye Name: 4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]-N,N-dimethyl-benzamide CAS Name: N,N-dimethyl-4-[[1-oxo-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]ethyl]amino]benzamide IUPAC Name: 4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]-N,N-dimethylbenzamide Traditional Name: 4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]-N,N-dimethyl-benzamide Formula: C22H30N4O2+2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O2/c1-24(2)22(28)19-8-10-20(11-9-19)23-21(27)17-26-14-12-25(13-15-26)16-18-6-4-3-5-7-18/h3-11H,12-17H2,1-2H3,(H,23,27)/p+2