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

Systemtic Name: (4S)-1-(2-ethoxyphenyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-pyrrolidin-2-one Openeye Name: (4S)-1-(2-ethoxyphenyl)-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one CAS Name: (4S)-1-(2-ethoxyphenyl)-4-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-2-pyrrolidinone IUPAC Name: (4S)-1-(2-ethoxyphenyl)-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one Traditional Name: (4S)-1-o-phenetyl-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-2-pyrrolidone Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC(CC2=O)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CCOC1=CC=CC=C1N2C[C@H](CC2=O)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H26N4O3/c1-2-29-19-8-4-3-7-18(19)26-16-17(15-21(26)27)22(28)25-13-11-24(12-14-25)20-9-5-6-10-23-20/h3-10,17H,2,11-16H2,1H3/p+1/t17-/m0/s1