2-(azocan-1-ium-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamide

Systemtic Name: 2-(azocan-1-ium-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamide Openeye Name: 2-(azocan-1-ium-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide CAS Name: 2-(1-azocan-1-iumyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide IUPAC Name: 2-(azocan-1-ium-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide Traditional Name: 2-(azocan-1-ium-1-yl)-N-veratryl-acetamide Formula: C18H29N2O3+ MolecularWeight: 321.43446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C[NH+]2CCCCCCC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C[NH+]2CCCCCCC2)OC

InChI

InChI=1S/C18H28N2O3/c1-22-16-9-8-15(12-17(16)23-2)13-19-18(21)14-20-10-6-4-3-5-7-11-20/h8-9,12H,3-7,10-11,13-14H2,1-2H3,(H,19,21)/p+1