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

Systemtic Name: 4-[2-(azepan-1-ium-1-yl)ethanoylamino]-N-cyclopropyl-benzamide Openeye Name: 4-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-cyclopropyl-benzamide CAS Name: 4-[[2-(1-azepan-1-iumyl)-1-oxoethyl]amino]-N-cyclopropylbenzamide IUPAC Name: 4-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-cyclopropylbenzamide Traditional Name: 4-[[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=C(C=C2)C(=O)NC3CC3

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)C(=O)NC3CC3

InChI

InChI=1S/C18H25N3O2/c22-17(13-21-11-3-1-2-4-12-21)19-15-7-5-14(6-8-15)18(23)20-16-9-10-16/h5-8,16H,1-4,9-13H2,(H,19,22)(H,20,23)/p+1