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

Systemtic Name: 3-methyl-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]-3-methyl-4-nitro-benzamide CAS Name: 3-methyl-N-[[(2R)-4-(2-methylpropyl)-2-morpholin-4-iumyl]methyl]-4-nitrobenzamide IUPAC Name: 3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methyl]-4-nitrobenzamide Traditional Name: N-[[(2R)-4-isobutylmorpholin-4-ium-2-yl]methyl]-3-methyl-4-nitro-benzamide Formula: C17H26N3O4+ MolecularWeight: 336.40604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC2C[NH+](CCO2)CC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC[C@@H]2C[NH+](CCO2)CC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O4/c1-12(2)10-19-6-7-24-15(11-19)9-18-17(21)14-4-5-16(20(22)23)13(3)8-14/h4-5,8,12,15H,6-7,9-11H2,1-3H3,(H,18,21)/p+1/t15-/m1/s1