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

Systemtic Name: 2-[2-(azepan-1-ium-1-yl)ethanoylamino]-N-(4-methoxyphenyl)benzamide Openeye Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide CAS Name: 2-[[2-(1-azepan-1-iumyl)-1-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide IUPAC Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide Traditional Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCCCCC3

InChI

InChI=1S/C22H27N3O3/c1-28-18-12-10-17(11-13-18)23-22(27)19-8-4-5-9-20(19)24-21(26)16-25-14-6-2-3-7-15-25/h4-5,8-13H,2-3,6-7,14-16H2,1H3,(H,23,27)(H,24,26)/p+1