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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

Isomeric SMILES

CCC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

InChI

InChI=1S/C22H26N4O2/c1-2-17-3-5-20(6-4-17)26-16-18(15-21(26)27)22(28)25-13-11-24(12-14-25)19-7-9-23-10-8-19/h3-10,18H,2,11-16H2,1H3/p+1/t18-/m0/s1