N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-4-nitro-benzamide

Systemtic Name: N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-4-nitro-benzamide Openeye Name: N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-4-nitro-benzamide CAS Name: N-[4-(4-morpholin-4-iumylmethyl)phenyl]-4-nitrobenzamide IUPAC Name: N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-4-nitrobenzamide Traditional Name: N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-4-nitro-benzamide Formula: C18H20N3O4+ MolecularWeight: 342.3691

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O4/c22-18(15-3-7-17(8-4-15)21(23)24)19-16-5-1-14(2-6-16)13-20-9-11-25-12-10-20/h1-8H,9-13H2,(H,19,22)/p+1