3-chloranyl-N-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide

Systemtic Name: 3-chloranyl-N-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide Openeye Name: 3-chloro-N-[2-oxo-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide CAS Name: 3-chloro-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethyl]benzamide IUPAC Name: 3-chloro-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide Traditional Name: 3-chloro-N-[2-keto-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide Formula: C19H22ClN4O2+ MolecularWeight: 373.85658

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CNC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CNC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H21ClN4O2/c20-17-3-1-2-16(12-17)19(26)22-13-18(25)24-10-8-23(9-11-24)14-15-4-6-21-7-5-15/h1-7,12H,8-11,13-14H2,(H,22,26)/p+1