N-(furan-2-ylmethyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide

Systemtic Name: N-(furan-2-ylmethyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: N-(2-furylmethyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: N-(2-furanylmethyl)-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: N-(furan-2-ylmethyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: N-(2-furfuryl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C17H21N4O4+ MolecularWeight: 345.37304

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O4/c1-19-6-8-20(9-7-19)15-5-4-13(11-16(15)21(23)24)17(22)18-12-14-3-2-10-25-14/h2-5,10-11H,6-9,12H2,1H3,(H,18,22)/p+1