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

Systemtic Name: 3-phenyl-N-[2-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]propanamide Openeye Name: N-[2-[1-[(3-isopropyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenyl-propanamide CAS Name: 3-phenyl-N-[2-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]propanamide IUPAC Name: 3-phenyl-N-[2-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]propanamide Traditional Name: N-[2-[1-[(3-isopropyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenyl-propionamide Formula: C24H33N6O+ MolecularWeight: 421.55842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NNC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=NNC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C24H32N6O/c1-18(2)22-16-20(27-28-22)17-29-14-11-21(12-15-29)30-23(10-13-25-30)26-24(31)9-8-19-6-4-3-5-7-19/h3-7,10,13,16,18,21H,8-9,11-12,14-15,17H2,1-2H3,(H,26,31)(H,27,28)/p+1