N-[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-2-(azepan-1-ium-1-yl)-N-ethyl-ethanamide

Systemtic Name: N-[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-2-(azepan-1-ium-1-yl)-N-ethyl-ethanamide Openeye Name: N-[2-(4-acetamidoanilino)-2-oxo-ethyl]-2-(azepan-1-ium-1-yl)-N-ethyl-acetamide CAS Name: N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(1-azepan-1-iumyl)-N-ethylacetamide IUPAC Name: N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(azepan-1-ium-1-yl)-N-ethylacetamide Traditional Name: N-[2-(4-acetamidoanilino)-2-keto-ethyl]-2-(azepan-1-ium-1-yl)-N-ethyl-acetamide Formula: C20H31N4O3+ MolecularWeight: 375.48514

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)C[NH+]2CCCCCC2

Isomeric SMILES

CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)C[NH+]2CCCCCC2

InChI

InChI=1S/C20H30N4O3/c1-3-24(20(27)15-23-12-6-4-5-7-13-23)14-19(26)22-18-10-8-17(9-11-18)21-16(2)25/h8-11H,3-7,12-15H2,1-2H3,(H,21,25)(H,22,26)/p+1