2-[4-(6-chloranylpyridin-3-yl)carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(6-chloranylpyridin-3-yl)carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(6-chloro-3-pyridinyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(6-chloronicotinoyl)piperazin-1-ium-1-yl]acetamide Formula: C19H22ClN4O2+ MolecularWeight: 373.85658

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C(=O)C3=CN=C(C=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C(=O)C3=CN=C(C=C3)Cl

InChI

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