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

Systemtic Name: 2-[2-(azocan-1-ium-1-yl)ethanoylamino]-N-cyclopropyl-benzamide Openeye Name: 2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-cyclopropyl-benzamide CAS Name: 2-[[2-(1-azocan-1-iumyl)-1-oxoethyl]amino]-N-cyclopropylbenzamide IUPAC Name: 2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-cyclopropylbenzamide Traditional Name: 2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-cyclopropyl-benzamide Formula: C19H28N3O2+ MolecularWeight: 330.44452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC(=O)NC2=CC=CC=C2C(=O)NC3CC3

Isomeric SMILES

C1CCC[NH+](CCC1)CC(=O)NC2=CC=CC=C2C(=O)NC3CC3

InChI

InChI=1S/C19H27N3O2/c23-18(14-22-12-6-2-1-3-7-13-22)21-17-9-5-4-8-16(17)19(24)20-15-10-11-15/h4-5,8-9,15H,1-3,6-7,10-14H2,(H,20,24)(H,21,23)/p+1