2-(azepan-1-ium-1-yl)-N-[(3,4-diethoxyphenyl)carbamoyl]ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[(3,4-diethoxyphenyl)carbamoyl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[(3,4-diethoxyphenyl)carbamoyl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[(3,4-diethoxyanilino)-oxomethyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[(3,4-diethoxyphenyl)carbamoyl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[(3,4-diethoxyphenyl)carbamoyl]acetamide Formula: C19H30N3O4+ MolecularWeight: 364.4592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)NC(=O)C[NH+]2CCCCCC2)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)NC(=O)C[NH+]2CCCCCC2)OCC

InChI

InChI=1S/C19H29N3O4/c1-3-25-16-10-9-15(13-17(16)26-4-2)20-19(24)21-18(23)14-22-11-7-5-6-8-12-22/h9-10,13H,3-8,11-12,14H2,1-2H3,(H2,20,21,23,24)/p+1