4-(ethylamino)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-3-nitro-benzamide

Systemtic Name: 4-(ethylamino)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-3-nitro-benzamide Openeye Name: 4-(ethylamino)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-3-nitro-benzamide CAS Name: 4-(ethylamino)-N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]-3-nitrobenzamide IUPAC Name: 4-(ethylamino)-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-3-nitrobenzamide Traditional Name: 4-(ethylamino)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-3-nitro-benzamide Formula: C17H27N4O4+ MolecularWeight: 351.42068

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)NCC(C)(C)[NH+]2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)NCC(C)(C)[NH+]2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C17H26N4O4/c1-4-18-14-6-5-13(11-15(14)21(23)24)16(22)19-12-17(2,3)20-7-9-25-10-8-20/h5-6,11,18H,4,7-10,12H2,1-3H3,(H,19,22)/p+1