methyl (2S)-4-cyclopentylcarbonyl-1-piperidin-1-ium-4-ylcarbonyl-piperazine-2-carboxylate

Systemtic Name: methyl (2S)-4-cyclopentylcarbonyl-1-piperidin-1-ium-4-ylcarbonyl-piperazine-2-carboxylate Openeye Name: methyl (2S)-4-(cyclopentanecarbonyl)-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxylate CAS Name: (2S)-4-[cyclopentyl(oxo)methyl]-1-[oxo(4-piperidin-1-iumyl)methyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-4-(cyclopentanecarbonyl)-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxylate Traditional Name: (2S)-4-(cyclopentanecarbonyl)-1-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxylic acid methyl ester Formula: C18H30N3O4+ MolecularWeight: 352.4485

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCN1C(=O)C2CC[NH2+]CC2)C(=O)C3CCCC3

Isomeric SMILES

COC(=O)[C@@H]1CN(CCN1C(=O)C2CC[NH2+]CC2)C(=O)C3CCCC3

InChI

InChI=1S/C18H29N3O4/c1-25-18(24)15-12-20(16(22)13-4-2-3-5-13)10-11-21(15)17(23)14-6-8-19-9-7-14/h13-15,19H,2-12H2,1H3/p+1/t15-/m0/s1