N-[2-(4-methylphenoxy)phenyl]-2-(5-oxidanylidene-1,4-diazepan-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-(4-methylphenoxy)phenyl]-2-(5-oxidanylidene-1,4-diazepan-1-ium-1-yl)ethanamide Openeye Name: N-[2-(4-methylphenoxy)phenyl]-2-(5-oxo-1,4-diazepan-1-ium-1-yl)acetamide CAS Name: N-[2-(4-methylphenoxy)phenyl]-2-(5-oxo-1,4-diazepan-1-ium-1-yl)acetamide IUPAC Name: N-[2-(4-methylphenoxy)phenyl]-2-(5-oxo-1,4-diazepan-1-ium-1-yl)acetamide Traditional Name: 2-(5-keto-1,4-diazepan-1-ium-1-yl)-N-[2-(4-methylphenoxy)phenyl]acetamide Formula: C20H24N3O3+ MolecularWeight: 354.42286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)C[NH+]3CCC(=O)NCC3

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)C[NH+]3CCC(=O)NCC3

InChI

InChI=1S/C20H23N3O3/c1-15-6-8-16(9-7-15)26-18-5-3-2-4-17(18)22-20(25)14-23-12-10-19(24)21-11-13-23/h2-9H,10-14H2,1H3,(H,21,24)(H,22,25)/p+1