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

Systemtic Name: 2-[2-(azepan-1-ium-1-yl)ethanoylamino]-N-(phenylmethyl)benzamide Openeye Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-benzyl-benzamide CAS Name: 2-[[2-(1-azepan-1-iumyl)-1-oxoethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-benzylbenzamide Traditional Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-benzyl-benzamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2/c26-21(17-25-14-8-1-2-9-15-25)24-20-13-7-6-12-19(20)22(27)23-16-18-10-4-3-5-11-18/h3-7,10-13H,1-2,8-9,14-17H2,(H,23,27)(H,24,26)/p+1