3-[1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-N-phenyl-propanamide

Systemtic Name: 3-[1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-N-phenyl-propanamide Openeye Name: 3-[1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-N-phenyl-propanamide CAS Name: 3-[1-[(3-methyl-1-propyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]-N-phenylpropanamide IUPAC Name: 3-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-N-phenylpropanamide Traditional Name: 3-[1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-N-phenyl-propionamide Formula: C22H33N4O+ MolecularWeight: 369.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=N1)C)C[NH+]2CCC(CC2)CCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CCCN1C=C(C(=N1)C)C[NH+]2CCC(CC2)CCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H32N4O/c1-3-13-26-17-20(18(2)24-26)16-25-14-11-19(12-15-25)9-10-22(27)23-21-7-5-4-6-8-21/h4-8,17,19H,3,9-16H2,1-2H3,(H,23,27)/p+1