1-cyclohexyl-4-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-1,4-diazepan-1-ium

Systemtic Name: 1-cyclohexyl-4-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-1,4-diazepan-1-ium Openeye Name: 1-cyclohexyl-4-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-1,4-diazepan-1-ium CAS Name: 1-cyclohexyl-4-[5-methyl-4-(2-methyl-3-pyrazolyl)-2-pyrimidinyl]-1,4-diazepan-1-ium IUPAC Name: 1-cyclohexyl-4-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-1,4-diazepan-1-ium Traditional Name: 1-cyclohexyl-4-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-1,4-diazepan-1-ium Formula: C20H31N6+ MolecularWeight: 355.50034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CC=NN2C)N3CCC[NH+](CC3)C4CCCCC4

Isomeric SMILES

CC1=CN=C(N=C1C2=CC=NN2C)N3CCC[NH+](CC3)C4CCCCC4

InChI

InChI=1S/C20H30N6/c1-16-15-21-20(23-19(16)18-9-10-22-24(18)2)26-12-6-11-25(13-14-26)17-7-4-3-5-8-17/h9-10,15,17H,3-8,11-14H2,1-2H3/p+1