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

Systemtic Name: 4-phenyl-N-[2-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide Openeye Name: N-[2-(1-benzylpiperidin-1-ium-4-yl)pyrazol-3-yl]-4-phenyl-butanamide CAS Name: 4-phenyl-N-[2-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]butanamide IUPAC Name: N-[2-(1-benzylpiperidin-1-ium-4-yl)pyrazol-3-yl]-4-phenylbutanamide Traditional Name: N-[2-(1-benzylpiperidin-1-ium-4-yl)pyrazol-3-yl]-4-phenyl-butyramide Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O/c30-25(13-7-12-21-8-3-1-4-9-21)27-24-14-17-26-29(24)23-15-18-28(19-16-23)20-22-10-5-2-6-11-22/h1-6,8-11,14,17,23H,7,12-13,15-16,18-20H2,(H,27,30)/p+1