(4-cyclohexylpiperazin-4-ium-1-yl)-(6-methyl-2-pyridin-2-yl-quinolin-4-yl)methanone

Systemtic Name: (4-cyclohexylpiperazin-4-ium-1-yl)-(6-methyl-2-pyridin-2-yl-quinolin-4-yl)methanone Openeye Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[6-methyl-2-(2-pyridyl)-4-quinolyl]methanone CAS Name: (4-cyclohexyl-1-piperazin-4-iumyl)-[6-methyl-2-(2-pyridinyl)-4-quinolinyl]methanone IUPAC Name: (4-cyclohexylpiperazin-4-ium-1-yl)-(6-methyl-2-pyridin-2-ylquinolin-4-yl)methanone Traditional Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[6-methyl-2-(2-pyridyl)-4-quinolyl]methanone Formula: C26H31N4O+ MolecularWeight: 415.55054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CC[NH+](CC3)C4CCCCC4)C5=CC=CC=N5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CC[NH+](CC3)C4CCCCC4)C5=CC=CC=N5

InChI

InChI=1S/C26H30N4O/c1-19-10-11-23-21(17-19)22(18-25(28-23)24-9-5-6-12-27-24)26(31)30-15-13-29(14-16-30)20-7-3-2-4-8-20/h5-6,9-12,17-18,20H,2-4,7-8,13-16H2,1H3/p+1