2-[2-(azocan-1-ium-1-yl)ethanoylamino]-N-(2,3-dimethylphenyl)ethanamide

Systemtic Name: 2-[2-(azocan-1-ium-1-yl)ethanoylamino]-N-(2,3-dimethylphenyl)ethanamide Openeye Name: 2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide CAS Name: 2-[[2-(1-azocan-1-iumyl)-1-oxoethyl]amino]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide Formula: C19H30N3O2+ MolecularWeight: 332.4604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CNC(=O)C[NH+]2CCCCCCC2)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CNC(=O)C[NH+]2CCCCCCC2)C

InChI

InChI=1S/C19H29N3O2/c1-15-9-8-10-17(16(15)2)21-18(23)13-20-19(24)14-22-11-6-4-3-5-7-12-22/h8-10H,3-7,11-14H2,1-2H3,(H,20,24)(H,21,23)/p+1