1-phenyl-1,4-diazepan-4-ium

Systemtic Name: 1-phenyl-1,4-diazepan-4-ium Openeye Name: 1-phenyl-1,4-diazepan-4-ium CAS Name: 1-phenyl-1,4-diazepan-4-ium IUPAC Name: 1-phenyl-1,4-diazepan-4-ium Traditional Name: 1-phenyl-1,4-diazepan-4-ium Formula: C11H17N2+ MolecularWeight: 177.26608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N2/c1-2-5-11(6-3-1)13-9-4-7-12-8-10-13/h1-3,5-6,12H,4,7-10H2/p+1