3-(azepan-1-ium-1-yl)-N-(2,4-dimethoxyphenyl)propanamide

Systemtic Name: 3-(azepan-1-ium-1-yl)-N-(2,4-dimethoxyphenyl)propanamide Openeye Name: 3-(azepan-1-ium-1-yl)-N-(2,4-dimethoxyphenyl)propanamide CAS Name: 3-(1-azepan-1-iumyl)-N-(2,4-dimethoxyphenyl)propanamide IUPAC Name: 3-(azepan-1-ium-1-yl)-N-(2,4-dimethoxyphenyl)propanamide Traditional Name: 3-(azepan-1-ium-1-yl)-N-(2,4-dimethoxyphenyl)propionamide Formula: C17H27N2O3+ MolecularWeight: 307.40788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CC[NH+]2CCCCCC2)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CC[NH+]2CCCCCC2)OC

InChI

InChI=1S/C17H26N2O3/c1-21-14-7-8-15(16(13-14)22-2)18-17(20)9-12-19-10-5-3-4-6-11-19/h7-8,13H,3-6,9-12H2,1-2H3,(H,18,20)/p+1