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

Systemtic Name: 1,4-diazepan-4-ium-1-yl-(2-methylquinolin-4-yl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-(2-methyl-4-quinolyl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(2-methyl-4-quinolinyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(2-methylquinolin-4-yl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl-(2-methyl-4-quinolyl)methanone Formula: C16H20N3O+ MolecularWeight: 270.3495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)N3CCC[NH2+]CC3

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)N3CCC[NH2+]CC3

InChI

InChI=1S/C16H19N3O/c1-12-11-14(13-5-2-3-6-15(13)18-12)16(20)19-9-4-7-17-8-10-19/h2-3,5-6,11,17H,4,7-10H2,1H3/p+1