5-ethyl-N-methyl-N-[4-(3-pyridin-1-ium-1-ylprop-1-ynyl)cyclohexyl]pyrimidin-2-amine

Systemtic Name: 5-ethyl-N-methyl-N-[4-(3-pyridin-1-ium-1-ylprop-1-ynyl)cyclohexyl]pyrimidin-2-amine Openeye Name: 5-ethyl-N-methyl-N-[4-(3-pyridin-1-ium-1-ylprop-1-ynyl)cyclohexyl]pyrimidin-2-amine CAS Name: 5-ethyl-N-methyl-N-[4-[3-(1-pyridin-1-iumyl)prop-1-ynyl]cyclohexyl]-2-pyrimidinamine IUPAC Name: 5-ethyl-N-methyl-N-[4-(3-pyridin-1-ium-1-ylprop-1-ynyl)cyclohexyl]pyrimidin-2-amine Traditional Name: (5-ethylpyrimidin-2-yl)-methyl-[4-(3-pyridin-1-ium-1-ylprop-1-ynyl)cyclohexyl]amine Formula: C21H27N4+ MolecularWeight: 335.46588

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(N=C1)N(C)C2CCC(CC2)C#CC[N+]3=CC=CC=C3

Isomeric SMILES

CCC1=CN=C(N=C1)N(C)C2CCC(CC2)C#CC[N+]3=CC=CC=C3

InChI

InChI=1S/C21H27N4/c1-3-18-16-22-21(23-17-18)24(2)20-11-9-19(10-12-20)8-7-15-25-13-5-4-6-14-25/h4-6,13-14,16-17,19-20H,3,9-12,15H2,1-2H3/q+1