(3S)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-piperidine-3-carboxamide Openeye Name: (3S)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxo-piperidine-3-carboxamide CAS Name: (3S)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1-[3-(4-morpholin-4-iumyl)propyl]-6-oxo-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxopiperidine-3-carboxamide Traditional Name: (3S)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-6-keto-N-methyl-1-(3-morpholin-4-ium-4-ylpropyl)nipecotamide Formula: C21H34N5O3+ MolecularWeight: 404.52636

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=NN1)C2CC2)C(=O)C3CCC(=O)N(C3)CCC[NH+]4CCOCC4

Isomeric SMILES

CN(CC1=CC(=NN1)C2CC2)C(=O)[C@H]3CCC(=O)N(C3)CCC[NH+]4CCOCC4

InChI

InChI=1S/C21H33N5O3/c1-24(15-18-13-19(23-22-18)16-3-4-16)21(28)17-5-6-20(27)26(14-17)8-2-7-25-9-11-29-12-10-25/h13,16-17H,2-12,14-15H2,1H3,(H,22,23)/p+1/t17-/m0/s1