N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide

Systemtic Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide Openeye Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide CAS Name: N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide IUPAC Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide Traditional Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2=CC(=NN2)C3=CC=CC=C3)[NH+]4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2=CC(=NN2)C3=CC=CC=C3)[NH+]4CCOCC4

InChI

InChI=1S/C21H28N4O2/c26-20(19-15-18(23-24-19)17-7-3-1-4-8-17)22-16-21(9-5-2-6-10-21)25-11-13-27-14-12-25/h1,3-4,7-8,15H,2,5-6,9-14,16H2,(H,22,26)(H,23,24)/p+1