4-methyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-nitro-benzamide

Systemtic Name: 4-methyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-nitro-benzamide Openeye Name: 4-methyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-nitro-benzamide CAS Name: 4-methyl-N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-nitrobenzamide Traditional Name: 4-methyl-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]-3-nitro-benzamide Formula: C20H24N3O4+ MolecularWeight: 370.42226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4/c1-15-6-7-16(12-19(15)23(25)26)20(24)21-13-17-4-2-3-5-18(17)14-22-8-10-27-11-9-22/h2-7,12H,8-11,13-14H2,1H3,(H,21,24)/p+1