(1-cyclohexyl-1,2,3-triazol-4-yl)-[4-[(3-methylpyridin-2-yl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (1-cyclohexyl-1,2,3-triazol-4-yl)-[4-[(3-methylpyridin-2-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (1-cyclohexyltriazol-4-yl)-[4-[(3-methyl-2-pyridyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (1-cyclohexyl-4-triazolyl)-[4-[(3-methyl-2-pyridinyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (1-cyclohexyltriazol-4-yl)-[4-[(3-methylpyridin-2-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (1-cyclohexyltriazol-4-yl)-[4-[(3-methyl-2-pyridyl)methyl]piperazin-4-ium-1-yl]methanone Formula: C20H29N6O+ MolecularWeight: 369.48386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CN(N=N3)C4CCCCC4

Isomeric SMILES

CC1=C(N=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CN(N=N3)C4CCCCC4

InChI

InChI=1S/C20H28N6O/c1-16-6-5-9-21-18(16)14-24-10-12-25(13-11-24)20(27)19-15-26(23-22-19)17-7-3-2-4-8-17/h5-6,9,15,17H,2-4,7-8,10-14H2,1H3/p+1