(3S)-1-[4-(4-methylpiperazin-1-yl)-4-oxidanylidene-butanoyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[4-(4-methylpiperazin-1-yl)-4-oxidanylidene-butanoyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[4-(4-methylpiperazin-1-yl)-4-oxo-butanoyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[4-(4-methyl-1-piperazinyl)-1,4-dioxobutyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[4-(4-methylpiperazin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[4-keto-4-(4-methylpiperazino)butanoyl]nipecotic acid Formula: C15H25N3O4 MolecularWeight: 311.3767

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCC(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(=O)CCC(=O)N2CCC[C@@H](C2)C(=O)O

InChI

InChI=1S/C15H25N3O4/c1-16-7-9-17(10-8-16)13(19)4-5-14(20)18-6-2-3-12(11-18)15(21)22/h12H,2-11H2,1H3,(H,21,22)/t12-/m0/s1