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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)C[NH+]3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)C[NH+]3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4/c1-14-12-16(4-7-18(14)22(24)25)19(23)20-17-5-2-15(3-6-17)13-21-8-10-26-11-9-21/h2-7,12H,8-11,13H2,1H3,(H,20,23)/p+1