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

Systemtic Name: 2-chloranyl-N-[3-oxidanylidene-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propyl]benzamide Openeye Name: 2-chloro-N-[3-oxo-3-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]propyl]benzamide CAS Name: 2-chloro-N-[3-oxo-3-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]propyl]benzamide IUPAC Name: 2-chloro-N-[3-oxo-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propyl]benzamide Traditional Name: 2-chloro-N-[3-keto-3-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]propyl]benzamide Formula: C20H24ClN4O2+ MolecularWeight: 387.88316

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CCNC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CCNC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H23ClN4O2/c21-18-4-2-1-3-17(18)20(27)23-10-7-19(26)25-13-11-24(12-14-25)15-16-5-8-22-9-6-16/h1-6,8-9H,7,10-15H2,(H,23,27)/p+1