(4Z)-5-methyl-2-(4-nitrophenyl)-4-[(piperidin-1-ium-4-ylmethylamino)methylidene]pyrazol-3-one

Systemtic Name: (4Z)-5-methyl-2-(4-nitrophenyl)-4-[(piperidin-1-ium-4-ylmethylamino)methylidene]pyrazol-3-one Openeye Name: (4Z)-5-methyl-2-(4-nitrophenyl)-4-[(piperidin-1-ium-4-ylmethylamino)methylene]pyrazol-3-one CAS Name: (4Z)-5-methyl-2-(4-nitrophenyl)-4-[(4-piperidin-1-iumylmethylamino)methylidene]-3-pyrazolone IUPAC Name: (4Z)-5-methyl-2-(4-nitrophenyl)-4-[(piperidin-1-ium-4-ylmethylamino)methylidene]pyrazol-3-one Traditional Name: (4Z)-5-methyl-2-(4-nitrophenyl)-4-[(piperidin-1-ium-4-ylmethylamino)methylene]-2-pyrazolin-3-one Formula: C17H22N5O3+ MolecularWeight: 344.38828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNCC2CC[NH2+]CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\NCC2CC[NH2+]CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O3/c1-12-16(11-19-10-13-6-8-18-9-7-13)17(23)21(20-12)14-2-4-15(5-3-14)22(24)25/h2-5,11,13,18-19H,6-10H2,1H3/p+1/b16-11-