6-[(3R)-3-(acetamidomethyl)piperidin-1-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 6-[(3R)-3-(acetamidomethyl)piperidin-1-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyridin-1-ium-3-carboxamide Openeye Name: 6-[(3R)-3-(acetamidomethyl)-1-piperidyl]-N-[(3-propylisoxazol-5-yl)methyl]pyridin-1-ium-3-carboxamide CAS Name: 6-[(3R)-3-(acetamidomethyl)-1-piperidinyl]-N-[(3-propyl-5-isoxazolyl)methyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 6-[(3R)-3-(acetamidomethyl)piperidin-1-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyridin-1-ium-3-carboxamide Traditional Name: 6-[(3R)-3-(acetamidomethyl)piperidino]-N-[(3-propylisoxazol-5-yl)methyl]pyridin-1-ium-3-carboxamide Formula: C21H30N5O3+ MolecularWeight: 400.4946

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC(=C1)CNC(=O)C2=C[NH+]=C(C=C2)N3CCCC(C3)CNC(=O)C

Isomeric SMILES

CCCC1=NOC(=C1)CNC(=O)C2=C[NH+]=C(C=C2)N3CCC[C@@H](C3)CNC(=O)C

InChI

InChI=1S/C21H29N5O3/c1-3-5-18-10-19(29-25-18)13-24-21(28)17-7-8-20(23-12-17)26-9-4-6-16(14-26)11-22-15(2)27/h7-8,10,12,16H,3-6,9,11,13-14H2,1-2H3,(H,22,27)(H,24,28)/p+1/t16-/m1/s1