4-(dimethylamino)-2-methoxy-N-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-5-nitro-benzamide

Systemtic Name: 4-(dimethylamino)-2-methoxy-N-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-5-nitro-benzamide Openeye Name: 4-(dimethylamino)-2-methoxy-N-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-5-nitro-benzamide CAS Name: 4-(dimethylamino)-2-methoxy-N-[2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]-5-nitrobenzamide IUPAC Name: 4-(dimethylamino)-2-methoxy-N-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-5-nitrobenzamide Traditional Name: 4-(dimethylamino)-2-methoxy-N-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-5-nitro-benzamide Formula: C17H29N5O4+2 MolecularWeight: 367.44326

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCNC(=O)C2=CC(=C(C=C2OC)N(C)C)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCNC(=O)C2=CC(=C(C=C2OC)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H27N5O4/c1-19(2)14-12-16(26-4)13(11-15(14)22(24)25)17(23)18-5-6-21-9-7-20(3)8-10-21/h11-12H,5-10H2,1-4H3,(H,18,23)/p+2