3-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)NCC2=CN=CC=C2)CC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1C[NH+](CCC1CCC(=O)NCC2=CN=CC=C2)CC3=CC=C(C=C3)N4C=CC=N4

InChI

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