N-[2-(1-cyclohexylpiperidin-1-ium-4-yl)pyrazol-3-yl]-4-phenyl-butanamide

Systemtic Name: N-[2-(1-cyclohexylpiperidin-1-ium-4-yl)pyrazol-3-yl]-4-phenyl-butanamide Openeye Name: N-[2-(1-cyclohexylpiperidin-1-ium-4-yl)pyrazol-3-yl]-4-phenyl-butanamide CAS Name: N-[2-(1-cyclohexyl-4-piperidin-1-iumyl)-3-pyrazolyl]-4-phenylbutanamide IUPAC Name: N-[2-(1-cyclohexylpiperidin-1-ium-4-yl)pyrazol-3-yl]-4-phenylbutanamide Traditional Name: N-[2-(1-cyclohexylpiperidin-1-ium-4-yl)pyrazol-3-yl]-4-phenyl-butyramide Formula: C24H35N4O+ MolecularWeight: 395.5609

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C24H34N4O/c29-24(13-7-10-20-8-3-1-4-9-20)26-23-14-17-25-28(23)22-15-18-27(19-16-22)21-11-5-2-6-12-21/h1,3-4,8-9,14,17,21-22H,2,5-7,10-13,15-16,18-19H2,(H,26,29)/p+1