N-(3,4-dipropoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide

Systemtic Name: N-(3,4-dipropoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: N-(3,4-dipropoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: N-(3,4-dipropoxyphenyl)-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: N-(3,4-dipropoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: N-(3,4-dipropoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C24H33N4O5+ MolecularWeight: 457.54262

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-])OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-])OCCC

InChI

InChI=1S/C24H32N4O5/c1-4-14-32-22-9-7-19(17-23(22)33-15-5-2)25-24(29)18-6-8-20(21(16-18)28(30)31)27-12-10-26(3)11-13-27/h6-9,16-17H,4-5,10-15H2,1-3H3,(H,25,29)/p+1