(4R)-1-(2-ethylphenyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-pyrrolidin-2-one

Systemtic Name: (4R)-1-(2-ethylphenyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-pyrrolidin-2-one Openeye Name: (4R)-1-(2-ethylphenyl)-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one CAS Name: (4R)-1-(2-ethylphenyl)-4-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-2-pyrrolidinone IUPAC Name: (4R)-1-(2-ethylphenyl)-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one Traditional Name: (4R)-1-(2-ethylphenyl)-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-2-pyrrolidone Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2CC(CC2=O)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CCC1=CC=CC=C1N2C[C@@H](CC2=O)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H26N4O2/c1-2-17-7-3-4-8-19(17)26-16-18(15-21(26)27)22(28)25-13-11-24(12-14-25)20-9-5-6-10-23-20/h3-10,18H,2,11-16H2,1H3/p+1/t18-/m1/s1