3-methyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-nitro-benzamide

Systemtic Name: 3-methyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-nitro-benzamide Openeye Name: 3-methyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-4-nitro-benzamide CAS Name: 3-methyl-N-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]-4-nitrobenzamide IUPAC Name: 3-methyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-4-nitrobenzamide Traditional Name: 3-methyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-4-nitro-benzamide Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH+]2CCOCC2)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C[NH+]2CCOCC2)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H25N3O4/c1-15-3-5-17(6-4-15)19(14-23-9-11-28-12-10-23)22-21(25)18-7-8-20(24(26)27)16(2)13-18/h3-8,13,19H,9-12,14H2,1-2H3,(H,22,25)/p+1/t19-/m0/s1