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

Systemtic Name: N-methyl-3-[2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]ethanoylamino]benzamide Openeye Name: N-methyl-3-[[2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetyl]amino]benzamide CAS Name: N-methyl-3-[[1-oxo-2-[4-(2-phenoxyethyl)-1-piperazine-1,4-diiumyl]ethyl]amino]benzamide IUPAC Name: N-methyl-3-[[2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetyl]amino]benzamide Traditional Name: N-methyl-3-[[2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetyl]amino]benzamide Formula: C22H30N4O3+2 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CC[NH+](CC2)CCOC3=CC=CC=C3

Isomeric SMILES

CNC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CC[NH+](CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O3/c1-23-22(28)18-6-5-7-19(16-18)24-21(27)17-26-12-10-25(11-13-26)14-15-29-20-8-3-2-4-9-20/h2-9,16H,10-15,17H2,1H3,(H,23,28)(H,24,27)/p+2