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

Systemtic Name: 3-methyl-N-[(2R)-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]-4-nitro-benzamide Openeye Name: 3-methyl-N-[(2R)-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]-4-nitro-benzamide CAS Name: 3-methyl-N-[(2R)-2-(4-morpholin-4-iumyl)-2-phenylethyl]-4-nitrobenzamide IUPAC Name: 3-methyl-N-[(2R)-2-morpholin-4-ium-4-yl-2-phenylethyl]-4-nitrobenzamide Traditional Name: 3-methyl-N-[(2R)-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]-4-nitro-benzamide Formula: C20H24N3O4+ MolecularWeight: 370.42226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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