N-phenyl-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-phenyl-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-4-yl]propanamide Openeye Name: 3-[1-[(3-isopropyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-4-yl]-N-phenyl-propanamide CAS Name: N-phenyl-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-phenyl-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-4-yl]propanamide Traditional Name: 3-[1-[(3-isopropyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-4-yl]-N-phenyl-propionamide Formula: C21H31N4O+ MolecularWeight: 355.49704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NNC(=C1)C[NH+]2CCC(CC2)CCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=NNC(=C1)C[NH+]2CCC(CC2)CCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H30N4O/c1-16(2)20-14-19(23-24-20)15-25-12-10-17(11-13-25)8-9-21(26)22-18-6-4-3-5-7-18/h3-7,14,16-17H,8-13,15H2,1-2H3,(H,22,26)(H,23,24)/p+1