3-(2-methoxyphenyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: 3-(2-methoxyphenyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-3-(2-methoxyphenyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]pyrazole-4-carboxamide CAS Name: 3-(2-methoxyphenyl)-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-3-(2-methoxyphenyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-3-(2-methoxyphenyl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]pyrazole-4-carboxamide Formula: C29H37N4O3+ MolecularWeight: 489.62908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C=C2C(=O)NCC3(CCCCC3)[NH+]4CCOCC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C=C2C(=O)NCC3(CCCCC3)[NH+]4CCOCC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H36N4O3/c1-35-26-13-7-6-12-24(26)27-25(21-33(31-27)20-23-10-4-2-5-11-23)28(34)30-22-29(14-8-3-9-15-29)32-16-18-36-19-17-32/h2,4-7,10-13,21H,3,8-9,14-20,22H2,1H3,(H,30,34)/p+1