4-[2-[2-(azepan-1-ium-1-ylmethyl)-5-methoxy-4-oxidanylidene-pyridin-1-yl]ethanoylamino]benzamide

Systemtic Name: 4-[2-[2-(azepan-1-ium-1-ylmethyl)-5-methoxy-4-oxidanylidene-pyridin-1-yl]ethanoylamino]benzamide Openeye Name: 4-[[2-[2-(azepan-1-ium-1-ylmethyl)-5-methoxy-4-oxo-1-pyridyl]acetyl]amino]benzamide CAS Name: 4-[[2-[2-(1-azepan-1-iumylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[2-(azepan-1-ium-1-ylmethyl)-5-methoxy-4-oxopyridin-1-yl]acetyl]amino]benzamide Traditional Name: 4-[[2-[2-(azepan-1-ium-1-ylmethyl)-4-keto-5-methoxy-1-pyridyl]acetyl]amino]benzamide Formula: C22H29N4O4+ MolecularWeight: 413.49006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(C(=CC1=O)C[NH+]2CCCCCC2)CC(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

COC1=CN(C(=CC1=O)C[NH+]2CCCCCC2)CC(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C22H28N4O4/c1-30-20-14-26(15-21(28)24-17-8-6-16(7-9-17)22(23)29)18(12-19(20)27)13-25-10-4-2-3-5-11-25/h6-9,12,14H,2-5,10-11,13,15H2,1H3,(H2,23,29)(H,24,28)/p+1