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

Systemtic Name: 5-[(3R)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidin-1-yl]carbonyl-1H-pyrazin-2-one Openeye Name: 5-[(3R)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidine-1-carbonyl]-1H-pyrazin-2-one CAS Name: 5-[oxo-[(3R)-3-(1-phenethyl-4-piperidin-1-iumyl)-1-pyrrolidinyl]methyl]-1H-pyrazin-2-one IUPAC Name: 5-[(3R)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidine-1-carbonyl]-1H-pyrazin-2-one Traditional Name: 5-[(3R)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidine-1-carbonyl]-1H-pyrazin-2-one Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2CCN(C2)C(=O)C3=CNC(=O)C=N3)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(C[C@H]1C2CC[NH+](CC2)CCC3=CC=CC=C3)C(=O)C4=CNC(=O)C=N4

InChI

InChI=1S/C22H28N4O2/c27-21-15-23-20(14-24-21)22(28)26-13-9-19(16-26)18-7-11-25(12-8-18)10-6-17-4-2-1-3-5-17/h1-5,14-15,18-19H,6-13,16H2,(H,24,27)/p+1/t19-/m0/s1