(3S)-N-ethyl-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-ethyl-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide Openeye Name: (3S)-N-ethyl-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide CAS Name: (3S)-N-ethyl-1-[3-(4-morpholin-4-iumyl)propyl]-6-oxo-N-[2-(1-pyrazolyl)ethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-ethyl-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide Traditional Name: (3S)-N-ethyl-6-keto-1-(3-morpholin-4-ium-4-ylpropyl)-N-(2-pyrazol-1-ylethyl)nipecotamide Formula: C20H34N5O3+ MolecularWeight: 392.51566

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCN1C=CC=N1)C(=O)C2CCC(=O)N(C2)CCC[NH+]3CCOCC3

Isomeric SMILES

CCN(CCN1C=CC=N1)C(=O)[C@H]2CCC(=O)N(C2)CCC[NH+]3CCOCC3

InChI

InChI=1S/C20H33N5O3/c1-2-23(11-12-25-10-3-7-21-25)20(27)18-5-6-19(26)24(17-18)9-4-8-22-13-15-28-16-14-22/h3,7,10,18H,2,4-6,8-9,11-17H2,1H3/p+1/t18-/m0/s1