N-ethyl-3-[2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanoylamino]benzamide

Systemtic Name: N-ethyl-3-[2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanoylamino]benzamide Openeye Name: 3-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]-N-ethyl-benzamide CAS Name: N-ethyl-3-[[1-oxo-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]ethyl]amino]benzamide IUPAC Name: 3-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]-N-ethylbenzamide Traditional Name: 3-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]-N-ethyl-benzamide Formula: C22H30N4O2+2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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