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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)C2=NC3=CC=CC=C3C=C2

InChI

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