2-[2-(azepan-1-ium-1-yl)ethanoylamino]-N-(4-ethoxyphenyl)benzamide

Systemtic Name: 2-[2-(azepan-1-ium-1-yl)ethanoylamino]-N-(4-ethoxyphenyl)benzamide Openeye Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-(4-ethoxyphenyl)benzamide CAS Name: 2-[[2-(1-azepan-1-iumyl)-1-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide IUPAC Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-(4-ethoxyphenyl)benzamide Traditional Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-p-phenetyl-benzamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCCCCC3

InChI

InChI=1S/C23H29N3O3/c1-2-29-19-13-11-18(12-14-19)24-23(28)20-9-5-6-10-21(20)25-22(27)17-26-15-7-3-4-8-16-26/h5-6,9-14H,2-4,7-8,15-17H2,1H3,(H,24,28)(H,25,27)/p+1