1-methyl-N-[3-(morpholin-4-ium-4-ylmethyl)phenyl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-methyl-N-[3-(morpholin-4-ium-4-ylmethyl)phenyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-methyl-N-[3-(morpholin-4-ium-4-ylmethyl)phenyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-methyl-N-[3-(4-morpholin-4-iumylmethyl)phenyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-methyl-N-[3-(morpholin-4-ium-4-ylmethyl)phenyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-methyl-N-[3-(morpholin-4-ium-4-ylmethyl)phenyl]-4-nitro-pyrazole-3-carboxamide Formula: C16H20N5O4+ MolecularWeight: 346.3611

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NC2=CC=CC(=C2)C[NH+]3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NC2=CC=CC(=C2)C[NH+]3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O4/c1-19-11-14(21(23)24)15(18-19)16(22)17-13-4-2-3-12(9-13)10-20-5-7-25-8-6-20/h2-4,9,11H,5-8,10H2,1H3,(H,17,22)/p+1