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

Systemtic Name: N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-nitro-benzamide Openeye Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-3-nitro-benzamide CAS Name: N-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]-3-nitrobenzamide IUPAC Name: N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-3-nitrobenzamide Traditional Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-3-nitro-benzamide Formula: C20H24N3O4+ MolecularWeight: 370.42226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4/c1-15-5-7-16(8-6-15)19(14-22-9-11-27-12-10-22)21-20(24)17-3-2-4-18(13-17)23(25)26/h2-8,13,19H,9-12,14H2,1H3,(H,21,24)/p+1/t19-/m0/s1