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

Systemtic Name: 2-[2-(azepan-1-ium-1-yl)ethanoylamino]-N-cyclopropyl-benzamide Openeye Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-cyclopropyl-benzamide CAS Name: 2-[[2-(1-azepan-1-iumyl)-1-oxoethyl]amino]-N-cyclopropylbenzamide IUPAC Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-cyclopropylbenzamide Traditional Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-cyclopropyl-benzamide Formula: C18H26N3O2+ MolecularWeight: 316.41794

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NC2=CC=CC=C2C(=O)NC3CC3

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)NC2=CC=CC=C2C(=O)NC3CC3

InChI

InChI=1S/C18H25N3O2/c22-17(13-21-11-5-1-2-6-12-21)20-16-8-4-3-7-15(16)18(23)19-14-9-10-14/h3-4,7-8,14H,1-2,5-6,9-13H2,(H,19,23)(H,20,22)/p+1