N-(4-ethoxyphenyl)-4-[2-(4-methylpiperazine-1,4-diium-1-yl)ethanoylamino]benzamide

Systemtic Name: N-(4-ethoxyphenyl)-4-[2-(4-methylpiperazine-1,4-diium-1-yl)ethanoylamino]benzamide Openeye Name: N-(4-ethoxyphenyl)-4-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]benzamide CAS Name: N-(4-ethoxyphenyl)-4-[[2-(4-methyl-1-piperazine-1,4-diiumyl)-1-oxoethyl]amino]benzamide IUPAC Name: N-(4-ethoxyphenyl)-4-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]benzamide Traditional Name: 4-[[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]amino]-N-p-phenetyl-benzamide Formula: C22H30N4O3+2 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C22H28N4O3/c1-3-29-20-10-8-19(9-11-20)24-22(28)17-4-6-18(7-5-17)23-21(27)16-26-14-12-25(2)13-15-26/h4-11H,3,12-16H2,1-2H3,(H,23,27)(H,24,28)/p+2