[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-(3-nitrophenyl)methanone

Systemtic Name: [4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-(3-nitrophenyl)methanone Openeye Name: [4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-(3-nitrophenyl)methanone CAS Name: [4-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-1-piperazin-4-iumyl]-(3-nitrophenyl)methanone IUPAC Name: [4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-(3-nitrophenyl)methanone Traditional Name: [4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-(3-nitrophenyl)methanone Formula: C18H24N5O3+ MolecularWeight: 358.41486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCN1C(=C(C=N1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H23N5O3/c1-3-22-14(2)16(12-19-22)13-20-7-9-21(10-8-20)18(24)15-5-4-6-17(11-15)23(25)26/h4-6,11-12H,3,7-10,13H2,1-2H3/p+1