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

Systemtic Name: 4-phenyl-N-[2-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide Openeye Name: 4-phenyl-N-[2-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide CAS Name: 4-phenyl-N-[2-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]butanamide IUPAC Name: 4-phenyl-N-[2-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide Traditional Name: 4-phenyl-N-[2-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]butyramide Formula: C24H30N5O+ MolecularWeight: 404.5279

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3)CC4=CN=CC=C4

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3)CC4=CN=CC=C4

InChI

InChI=1S/C24H29N5O/c30-24(10-4-8-20-6-2-1-3-7-20)27-23-11-15-26-29(23)22-12-16-28(17-13-22)19-21-9-5-14-25-18-21/h1-3,5-7,9,11,14-15,18,22H,4,8,10,12-13,16-17,19H2,(H,27,30)/p+1