1,4-diazepan-4-ium-1-yl(quinolin-2-yl)methanone

Systemtic Name: 1,4-diazepan-4-ium-1-yl(quinolin-2-yl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl(2-quinolyl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl(2-quinolinyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl(quinolin-2-yl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl(2-quinolyl)methanone Formula: C15H18N3O+ MolecularWeight: 256.32292

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C15H17N3O/c19-15(18-10-3-8-16-9-11-18)14-7-6-12-4-1-2-5-13(12)17-14/h1-2,4-7,16H,3,8-11H2/p+1