6-morpholin-4-yl-N-[(3R)-2-oxidanylideneazepan-3-yl]pyridin-1-ium-3-carboxamide

Systemtic Name: 6-morpholin-4-yl-N-[(3R)-2-oxidanylideneazepan-3-yl]pyridin-1-ium-3-carboxamide Openeye Name: 6-morpholino-N-[(3R)-2-oxoazepan-3-yl]pyridin-1-ium-3-carboxamide CAS Name: 6-(4-morpholinyl)-N-[(3R)-2-oxo-3-azepanyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 6-morpholin-4-yl-N-[(3R)-2-oxoazepan-3-yl]pyridin-1-ium-3-carboxamide Traditional Name: N-[(3R)-2-ketoazepan-3-yl]-6-morpholino-pyridin-1-ium-3-carboxamide Formula: C16H23N4O3+ MolecularWeight: 319.37882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=C[NH+]=C(C=C2)N3CCOCC3

Isomeric SMILES

C1CCNC(=O)[C@@H](C1)NC(=O)C2=C[NH+]=C(C=C2)N3CCOCC3

InChI

InChI=1S/C16H22N4O3/c21-15(19-13-3-1-2-6-17-16(13)22)12-4-5-14(18-11-12)20-7-9-23-10-8-20/h4-5,11,13H,1-3,6-10H2,(H,17,22)(H,19,21)/p+1/t13-/m1/s1