3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]propanamide

Systemtic Name: 3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]propanamide Openeye Name: 3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]propanamide CAS Name: 3-[1-(3-methoxyphenyl)-3,5-dimethyl-4-pyrazolyl]-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]propanamide IUPAC Name: 3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]propanamide Traditional Name: 3-[1-(3-methoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]propionamide Formula: C26H39N4O3+ MolecularWeight: 455.61286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC(=CC=C2)OC)C)CCC(=O)NCC3(CCCCC3)[NH+]4CCOCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC(=CC=C2)OC)C)CCC(=O)NCC3(CCCCC3)[NH+]4CCOCC4

InChI

InChI=1S/C26H38N4O3/c1-20-24(21(2)30(28-20)22-8-7-9-23(18-22)32-3)10-11-25(31)27-19-26(12-5-4-6-13-26)29-14-16-33-17-15-29/h7-9,18H,4-6,10-17,19H2,1-3H3,(H,27,31)/p+1