N-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]-4-nitro-benzamide

Systemtic Name: N-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]-4-nitro-benzamide Openeye Name: N-[[(2R)-4-isobutylmorpholin-4-ium-2-yl]methyl]-4-nitro-benzamide CAS Name: N-[[(2R)-4-(2-methylpropyl)-2-morpholin-4-iumyl]methyl]-4-nitrobenzamide IUPAC Name: N-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]-4-nitrobenzamide Traditional Name: N-[[(2R)-4-isobutylmorpholin-4-ium-2-yl]methyl]-4-nitro-benzamide Formula: C16H24N3O4+ MolecularWeight: 322.37946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCOC(C1)CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C[NH+]1CCO[C@@H](C1)CNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O4/c1-12(2)10-18-7-8-23-15(11-18)9-17-16(20)13-3-5-14(6-4-13)19(21)22/h3-6,12,15H,7-11H2,1-2H3,(H,17,20)/p+1/t15-/m1/s1