1-[2-chloranyl-5-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonyl-phenyl]pyrrolidin-2-one

Systemtic Name: 1-[2-chloranyl-5-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonyl-phenyl]pyrrolidin-2-one Openeye Name: 1-[2-chloro-5-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]phenyl]pyrrolidin-2-one CAS Name: 1-[2-chloro-5-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[2-chloro-5-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]pyrrolidin-2-one Traditional Name: 1-[2-chloro-5-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]phenyl]-2-pyrrolidone Formula: C21H24ClN4O2+ MolecularWeight: 399.89386

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=C(C=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4)Cl

Isomeric SMILES

C1CC(=O)N(C1)C2=C(C=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4)Cl

InChI

InChI=1S/C21H23ClN4O2/c22-18-4-3-17(14-19(18)26-9-1-2-20(26)27)21(28)25-12-10-24(11-13-25)15-16-5-7-23-8-6-16/h3-8,14H,1-2,9-13,15H2/p+1