N-(3-methoxyphenyl)-5-nitro-2-[2-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: N-(3-methoxyphenyl)-5-nitro-2-[2-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: N-(3-methoxyphenyl)-5-nitro-2-[[2-[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: N-(3-methoxyphenyl)-5-nitro-2-[[1-oxo-2-[(2S)-2-(3-pyridinyl)-1-piperidin-1-iumyl]ethyl]amino]benzamide IUPAC Name: N-(3-methoxyphenyl)-5-nitro-2-[[2-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: N-(3-methoxyphenyl)-5-nitro-2-[[2-[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]acetyl]amino]benzamide Formula: C26H28N5O5+ MolecularWeight: 490.53102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)C[NH+]3CCCCC3C4=CN=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)C[NH+]3CCCC[C@H]3C4=CN=CC=C4

InChI

InChI=1S/C26H27N5O5/c1-36-21-8-4-7-19(14-21)28-26(33)22-15-20(31(34)35)10-11-23(22)29-25(32)17-30-13-3-2-9-24(30)18-6-5-12-27-16-18/h4-8,10-12,14-16,24H,2-3,9,13,17H2,1H3,(H,28,33)(H,29,32)/p+1/t24-/m0/s1