5-[4-[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-1-ium-3-yl]piperidin-1-yl]carbonyl-1H-pyrazin-2-one

Systemtic Name: 5-[4-[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-1-ium-3-yl]piperidin-1-yl]carbonyl-1H-pyrazin-2-one Openeye Name: 5-[4-[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-1-ium-3-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one CAS Name: 5-[[4-[(3R)-1-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-iumyl]-1-piperidinyl]-oxomethyl]-1H-pyrazin-2-one IUPAC Name: 5-[4-[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-1-ium-3-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one Traditional Name: 5-[4-[(3R)-1-(4-chlorobenzyl)pyrrolidin-1-ium-3-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one Formula: C21H26ClN4O2+ MolecularWeight: 401.90974

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1C2CCN(CC2)C(=O)C3=CNC(=O)C=N3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[NH+](C[C@H]1C2CCN(CC2)C(=O)C3=CNC(=O)C=N3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H25ClN4O2/c22-18-3-1-15(2-4-18)13-25-8-5-17(14-25)16-6-9-26(10-7-16)21(28)19-11-24-20(27)12-23-19/h1-4,11-12,16-17H,5-10,13-14H2,(H,24,27)/p+1/t17-/m0/s1