(4-ethyl-1,4-diazepan-4-ium-1-yl)-[8-methyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone

Systemtic Name: (4-ethyl-1,4-diazepan-4-ium-1-yl)-[8-methyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone Openeye Name: (4-ethyl-1,4-diazepan-4-ium-1-yl)-[8-methyl-2-(1H-pyrazol-4-yl)-4-quinolyl]methanone CAS Name: (4-ethyl-1,4-diazepan-4-ium-1-yl)-[8-methyl-2-(1H-pyrazol-4-yl)-4-quinolinyl]methanone IUPAC Name: (4-ethyl-1,4-diazepan-4-ium-1-yl)-[8-methyl-2-(1H-pyrazol-4-yl)quinolin-4-yl]methanone Traditional Name: (4-ethyl-1,4-diazepan-4-ium-1-yl)-[8-methyl-2-(1H-pyrazol-4-yl)-4-quinolyl]methanone Formula: C21H26N5O+ MolecularWeight: 364.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCN(CC1)C(=O)C2=CC(=NC3=C2C=CC=C3C)C4=CNN=C4

Isomeric SMILES

CC[NH+]1CCCN(CC1)C(=O)C2=CC(=NC3=C2C=CC=C3C)C4=CNN=C4

InChI

InChI=1S/C21H25N5O/c1-3-25-8-5-9-26(11-10-25)21(27)18-12-19(16-13-22-23-14-16)24-20-15(2)6-4-7-17(18)20/h4,6-7,12-14H,3,5,8-11H2,1-2H3,(H,22,23)/p+1