N-[4-[2-(azepan-1-ium-1-yl)ethanoylamino]-2,5-diethoxy-phenyl]benzamide

Systemtic Name: N-[4-[2-(azepan-1-ium-1-yl)ethanoylamino]-2,5-diethoxy-phenyl]benzamide Openeye Name: N-[4-[[2-(azepan-1-ium-1-yl)acetyl]amino]-2,5-diethoxy-phenyl]benzamide CAS Name: N-[4-[[2-(1-azepan-1-iumyl)-1-oxoethyl]amino]-2,5-diethoxyphenyl]benzamide IUPAC Name: N-[4-[[2-(azepan-1-ium-1-yl)acetyl]amino]-2,5-diethoxyphenyl]benzamide Traditional Name: N-[4-[[2-(azepan-1-ium-1-yl)acetyl]amino]-2,5-diethoxy-phenyl]benzamide Formula: C25H34N3O4+ MolecularWeight: 440.55516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OCC)NC(=O)C[NH+]3CCCCCC3

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OCC)NC(=O)C[NH+]3CCCCCC3

InChI

InChI=1S/C25H33N3O4/c1-3-31-22-17-21(27-25(30)19-12-8-7-9-13-19)23(32-4-2)16-20(22)26-24(29)18-28-14-10-5-6-11-15-28/h7-9,12-13,16-17H,3-6,10-11,14-15,18H2,1-2H3,(H,26,29)(H,27,30)/p+1