2-(azocan-1-ium-1-yl)-N-[(4-dimethylaminophenyl)methyl]ethanamide

Systemtic Name: 2-(azocan-1-ium-1-yl)-N-[(4-dimethylaminophenyl)methyl]ethanamide Openeye Name: 2-(azocan-1-ium-1-yl)-N-[(4-dimethylaminophenyl)methyl]acetamide CAS Name: 2-(1-azocan-1-iumyl)-N-[(4-dimethylaminophenyl)methyl]acetamide IUPAC Name: 2-(azocan-1-ium-1-yl)-N-[(4-dimethylaminophenyl)methyl]acetamide Traditional Name: 2-(azocan-1-ium-1-yl)-N-[4-(dimethylamino)benzyl]acetamide Formula: C18H30N3O+ MolecularWeight: 304.4503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O/c1-20(2)17-10-8-16(9-11-17)14-19-18(22)15-21-12-6-4-3-5-7-13-21/h8-11H,3-7,12-15H2,1-2H3,(H,19,22)/p+1