2-azanylpent-4-ynoyl 1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxylate hydrochloride

Systemtic Name: 2-azanylpent-4-ynoyl 1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxylate hydrochloride Openeye Name: 2-aminopent-4-ynoyl 1-[3-(4-piperidyl)propanoyl]piperidine-3-carboxylate hydrochloride CAS Name: 1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinecarboxylic acid (2-amino-1-oxopent-4-ynyl) ester hydrochloride IUPAC Name: 2-aminopent-4-ynoyl 1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxylate hydrochloride Traditional Name: 1-[3-(4-piperidyl)propanoyl]nipecotic acid 2-aminopent-4-ynoyl ester hydrochloride Formula: C19H30ClN3O4 MolecularWeight: 399.9122

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC(C(=O)OC(=O)C1CCCN(C1)C(=O)CCC2CCNCC2)N.Cl

Isomeric SMILES

C#CCC(C(=O)OC(=O)C1CCCN(C1)C(=O)CCC2CCNCC2)N.Cl

InChI

InChI=1S/C19H29N3O4.ClH/c1-2-4-16(20)19(25)26-18(24)15-5-3-12-22(13-15)17(23)7-6-14-8-10-21-11-9-14;/h1,14-16,21H,3-13,20H2;1H