(4S)-1-(2-ethoxyphenyl)-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonyl-pyrrolidin-2-one

Systemtic Name: (4S)-1-(2-ethoxyphenyl)-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonyl-pyrrolidin-2-one Openeye Name: (4S)-1-(2-ethoxyphenyl)-4-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]pyrrolidin-2-one CAS Name: (4S)-1-(2-ethoxyphenyl)-4-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methyl]-2-pyrrolidinone IUPAC Name: (4S)-1-(2-ethoxyphenyl)-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]pyrrolidin-2-one Traditional Name: (4S)-1-o-phenetyl-4-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]-2-pyrrolidone Formula: C23H29N4O3+ MolecularWeight: 409.50136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC(CC2=O)C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

Isomeric SMILES

CCOC1=CC=CC=C1N2C[C@H](CC2=O)C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

InChI

InChI=1S/C23H28N4O3/c1-2-30-21-6-4-3-5-20(21)27-17-19(15-22(27)28)23(29)26-13-11-25(12-14-26)16-18-7-9-24-10-8-18/h3-10,19H,2,11-17H2,1H3/p+1/t19-/m0/s1