4-methyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-yl-ethyl]-3-nitro-benzamide

Systemtic Name: 4-methyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-yl-ethyl]-3-nitro-benzamide Openeye Name: 4-methyl-N-[(2R)-2-(5-methyl-2-furyl)-2-morpholin-4-ium-4-yl-ethyl]-3-nitro-benzamide CAS Name: 4-methyl-N-[(2R)-2-(5-methyl-2-furanyl)-2-(4-morpholin-4-iumyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-ylethyl]-3-nitrobenzamide Traditional Name: 4-methyl-N-[(2R)-2-(5-methyl-2-furyl)-2-morpholin-4-ium-4-yl-ethyl]-3-nitro-benzamide Formula: C19H24N3O5+ MolecularWeight: 374.41096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(C2=CC=C(O2)C)[NH+]3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC[C@H](C2=CC=C(O2)C)[NH+]3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O5/c1-13-3-5-15(11-16(13)22(24)25)19(23)20-12-17(18-6-4-14(2)27-18)21-7-9-26-10-8-21/h3-6,11,17H,7-10,12H2,1-2H3,(H,20,23)/p+1/t17-/m1/s1