N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-nitro-benzamide

Systemtic Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-nitro-benzamide Openeye Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-nitro-benzamide CAS Name: N-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]-3-nitrobenzamide IUPAC Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-nitrobenzamide Traditional Name: N-[4-(morpholin-4-ium-4-ylmethyl)benzyl]-3-nitro-benzamide Formula: C19H22N3O4+ MolecularWeight: 356.39568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4/c23-19(17-2-1-3-18(12-17)22(24)25)20-13-15-4-6-16(7-5-15)14-21-8-10-26-11-9-21/h1-7,12H,8-11,13-14H2,(H,20,23)/p+1