3-(4-ethanoyl-3,5-dimethyl-pyrazol-1-yl)-N-(2-morpholin-4-ium-4-ylethyl)propanamide

Systemtic Name: 3-(4-ethanoyl-3,5-dimethyl-pyrazol-1-yl)-N-(2-morpholin-4-ium-4-ylethyl)propanamide Openeye Name: 3-(4-acetyl-3,5-dimethyl-pyrazol-1-yl)-N-(2-morpholin-4-ium-4-ylethyl)propanamide CAS Name: 3-(4-acetyl-3,5-dimethyl-1-pyrazolyl)-N-[2-(4-morpholin-4-iumyl)ethyl]propanamide IUPAC Name: 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(2-morpholin-4-ium-4-ylethyl)propanamide Traditional Name: 3-(4-acetyl-3,5-dimethyl-pyrazol-1-yl)-N-(2-morpholin-4-ium-4-ylethyl)propionamide Formula: C16H27N4O3+ MolecularWeight: 323.41058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NCC[NH+]2CCOCC2)C)C(=O)C

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NCC[NH+]2CCOCC2)C)C(=O)C

InChI

InChI=1S/C16H26N4O3/c1-12-16(14(3)21)13(2)20(18-12)6-4-15(22)17-5-7-19-8-10-23-11-9-19/h4-11H2,1-3H3,(H,17,22)/p+1