ethyl 4-[(3S)-1-naphthalen-1-yl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-naphthalen-1-yl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-(1-naphthyl)-2,5-dioxo-pyrrolidin-3-yl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3S)-1-(1-naphthalenyl)-2,5-dioxo-3-pyrrolidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3S)-2,5-diketo-1-(1-naphthyl)pyrrolidin-3-yl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C21H24N3O4+ MolecularWeight: 382.43296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H]2CC(=O)N(C2=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H23N3O4/c1-2-28-21(27)23-12-10-22(11-13-23)18-14-19(25)24(20(18)26)17-9-5-7-15-6-3-4-8-16(15)17/h3-9,18H,2,10-14H2,1H3/p+1/t18-/m0/s1