N-phenethyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoylamino]benzamide

Systemtic Name: N-phenethyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoylamino]benzamide Openeye Name: N-phenethyl-2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]benzamide CAS Name: 2-[[1-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethyl]amino]-N-phenethylbenzamide IUPAC Name: N-phenethyl-2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Traditional Name: N-phenethyl-2-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Formula: C26H31N5O2+2 MolecularWeight: 445.55664

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C26H29N5O2/c32-25(20-30-16-18-31(19-17-30)24-12-6-7-14-27-24)29-23-11-5-4-10-22(23)26(33)28-15-13-21-8-2-1-3-9-21/h1-12,14H,13,15-20H2,(H,28,33)(H,29,32)/p+2