4-phenyl-N-[2-[1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide

Systemtic Name: 4-phenyl-N-[2-[1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide Openeye Name: N-[2-[1-[(1R)-1-methyl-3-pyrazol-1-yl-propyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide CAS Name: 4-phenyl-N-[2-[1-[(2R)-4-(1-pyrazolyl)butan-2-yl]-4-piperidin-1-iumyl]-3-pyrazolyl]butanamide IUPAC Name: 4-phenyl-N-[2-[1-[(2R)-4-pyrazol-1-ylbutan-2-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide Traditional Name: N-[2-[1-[(1R)-1-methyl-3-pyrazol-1-yl-propyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butyramide Formula: C25H35N6O+ MolecularWeight: 435.585

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C=CC=N1)[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCCC4=CC=CC=C4

Isomeric SMILES

C[C@H](CCN1C=CC=N1)[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C25H34N6O/c1-21(12-20-30-17-6-15-26-30)29-18-13-23(14-19-29)31-24(11-16-27-31)28-25(32)10-5-9-22-7-3-2-4-8-22/h2-4,6-8,11,15-17,21,23H,5,9-10,12-14,18-20H2,1H3,(H,28,32)/p+1/t21-/m1/s1