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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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