N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-yl-ethyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-yl-ethyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[(2S)-2-(5-methyl-2-furyl)-2-morpholin-4-ium-4-yl-ethyl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[(2S)-2-(5-methyl-2-furanyl)-2-(4-morpholin-4-iumyl)ethyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-ylethyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[(2S)-2-(5-methyl-2-furyl)-2-morpholin-4-ium-4-yl-ethyl]-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C24H33N4O5+ MolecularWeight: 457.54262

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC(C3=CC=C(O3)C)[NH+]4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC[C@@H](C3=CC=C(O3)C)[NH+]4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H32N4O5/c1-17-7-9-26(10-8-17)20-5-4-19(15-21(20)28(30)31)24(29)25-16-22(23-6-3-18(2)33-23)27-11-13-32-14-12-27/h3-6,15,17,22H,7-14,16H2,1-2H3,(H,25,29)/p+1/t22-/m0/s1