N-phenyl-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: N-phenyl-1,4-diazepan-4-ium-1-carboxamide Openeye Name: N-phenyl-1,4-diazepan-4-ium-1-carboxamide CAS Name: N-phenyl-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: N-phenyl-1,4-diazepan-4-ium-1-carboxamide Traditional Name: N-phenyl-1,4-diazepan-4-ium-1-carboxamide Formula: C12H18N3O+ MolecularWeight: 220.29082

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)NC2=CC=CC=C2

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C12H17N3O/c16-12(14-11-5-2-1-3-6-11)15-9-4-7-13-8-10-15/h1-3,5-6,13H,4,7-10H2,(H,14,16)/p+1