N-[2-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide

Systemtic Name: N-[2-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide Openeye Name: N-[2-(1-indan-2-ylpiperidin-1-ium-4-yl)pyrazol-3-yl]-4-phenyl-butanamide CAS Name: N-[2-[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-iumyl]-3-pyrazolyl]-4-phenylbutanamide IUPAC Name: N-[2-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenylbutanamide Traditional Name: N-[2-(1-indan-2-ylpiperidin-1-ium-4-yl)pyrazol-3-yl]-4-phenyl-butyramide Formula: C27H33N4O+ MolecularWeight: 429.57712

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3)C4CC5=CC=CC=C5C4

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3)C4CC5=CC=CC=C5C4

InChI

InChI=1S/C27H32N4O/c32-27(12-6-9-21-7-2-1-3-8-21)29-26-13-16-28-31(26)24-14-17-30(18-15-24)25-19-22-10-4-5-11-23(22)20-25/h1-5,7-8,10-11,13,16,24-25H,6,9,12,14-15,17-20H2,(H,29,32)/p+1