ethyl 4-[(3S)-1-(4-methyl-2-oxidanylidene-pentanoyl)piperidin-3-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-(4-methyl-2-oxidanylidene-pentanoyl)piperidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-(4-methyl-2-oxo-pentanoyl)-3-piperidyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3S)-1-(4-methyl-1,2-dioxopentyl)-3-piperidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-(4-methyl-2-oxopentanoyl)piperidin-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3S)-1-(2-keto-4-methyl-pentanoyl)-3-piperidyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H32N3O4+ MolecularWeight: 354.46438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C2CCCN(C2)C(=O)C(=O)CC(C)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H]2CCCN(C2)C(=O)C(=O)CC(C)C

InChI

InChI=1S/C18H31N3O4/c1-4-25-18(24)20-10-8-19(9-11-20)15-6-5-7-21(13-15)17(23)16(22)12-14(2)3/h14-15H,4-13H2,1-3H3/p+1/t15-/m0/s1