N-(3-methoxyphenyl)-5-nitro-2-[2-(4-pentan-3-ylpiperazine-1,4-diium-1-yl)ethanoylamino]benzamide

Systemtic Name: N-(3-methoxyphenyl)-5-nitro-2-[2-(4-pentan-3-ylpiperazine-1,4-diium-1-yl)ethanoylamino]benzamide Openeye Name: 2-[[2-[4-(1-ethylpropyl)piperazine-1,4-diium-1-yl]acetyl]amino]-N-(3-methoxyphenyl)-5-nitro-benzamide CAS Name: N-(3-methoxyphenyl)-5-nitro-2-[[1-oxo-2-(4-pentan-3-yl-1-piperazine-1,4-diiumyl)ethyl]amino]benzamide IUPAC Name: N-(3-methoxyphenyl)-5-nitro-2-[[2-(4-pentan-3-ylpiperazine-1,4-diium-1-yl)acetyl]amino]benzamide Traditional Name: 2-[[2-[4-(1-ethylpropyl)piperazine-1,4-diium-1-yl]acetyl]amino]-N-(3-methoxyphenyl)-5-nitro-benzamide Formula: C25H35N5O5+2 MolecularWeight: 485.5759

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH+]1CC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

CCC(CC)[NH+]1CC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C25H33N5O5/c1-4-19(5-2)29-13-11-28(12-14-29)17-24(31)27-23-10-9-20(30(33)34)16-22(23)25(32)26-18-7-6-8-21(15-18)35-3/h6-10,15-16,19H,4-5,11-14,17H2,1-3H3,(H,26,32)(H,27,31)/p+2