5-(indol-1-ylmethyl)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-1H-pyrazole-3-carboxamide

Systemtic Name: 5-(indol-1-ylmethyl)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-1H-pyrazole-3-carboxamide Openeye Name: 5-(indol-1-ylmethyl)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-1H-pyrazole-3-carboxamide CAS Name: 5-(1-indolylmethyl)-N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]-1H-pyrazole-3-carboxamide IUPAC Name: 5-(indol-1-ylmethyl)-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-1H-pyrazole-3-carboxamide Traditional Name: 5-(indol-1-ylmethyl)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-1H-pyrazole-3-carboxamide Formula: C21H28N5O2+ MolecularWeight: 382.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=NNC(=C1)CN2C=CC3=CC=CC=C32)[NH+]4CCOCC4

Isomeric SMILES

CC(C)(CNC(=O)C1=NNC(=C1)CN2C=CC3=CC=CC=C32)[NH+]4CCOCC4

InChI

InChI=1S/C21H27N5O2/c1-21(2,26-9-11-28-12-10-26)15-22-20(27)18-13-17(23-24-18)14-25-8-7-16-5-3-4-6-19(16)25/h3-8,13H,9-12,14-15H2,1-2H3,(H,22,27)(H,23,24)/p+1