N-[2-(1,4-diazepan-4-ium-1-yl)-2-oxidanylidene-ethyl]benzamide

Systemtic Name: N-[2-(1,4-diazepan-4-ium-1-yl)-2-oxidanylidene-ethyl]benzamide Openeye Name: N-[2-(1,4-diazepan-4-ium-1-yl)-2-oxo-ethyl]benzamide CAS Name: N-[2-(1,4-diazepan-4-ium-1-yl)-2-oxoethyl]benzamide IUPAC Name: N-[2-(1,4-diazepan-4-ium-1-yl)-2-oxoethyl]benzamide Traditional Name: N-[2-(1,4-diazepan-4-ium-1-yl)-2-keto-ethyl]benzamide Formula: C14H20N3O2+ MolecularWeight: 262.3275

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)CNC(=O)C2=CC=CC=C2

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)CNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H19N3O2/c18-13(17-9-4-7-15-8-10-17)11-16-14(19)12-5-2-1-3-6-12/h1-3,5-6,15H,4,7-11H2,(H,16,19)/p+1