1,5-dimethyl-4-(morpholin-4-ium-4-ylmethylamino)-2-phenyl-pyrazol-3-one

Systemtic Name: 1,5-dimethyl-4-(morpholin-4-ium-4-ylmethylamino)-2-phenyl-pyrazol-3-one Openeye Name: 1,5-dimethyl-4-(morpholin-4-ium-4-ylmethylamino)-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-4-(4-morpholin-4-iumylmethylamino)-2-phenyl-3-pyrazolone IUPAC Name: 1,5-dimethyl-4-(morpholin-4-ium-4-ylmethylamino)-2-phenylpyrazol-3-one Traditional Name: 1,5-dimethyl-4-(morpholin-4-ium-4-ylmethylamino)-2-phenyl-3-pyrazolin-3-one Formula: C16H23N4O2+ MolecularWeight: 303.37942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC[NH+]3CCOCC3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC[NH+]3CCOCC3

InChI

InChI=1S/C16H22N4O2/c1-13-15(17-12-19-8-10-22-11-9-19)16(21)20(18(13)2)14-6-4-3-5-7-14/h3-7,17H,8-12H2,1-2H3/p+1