N-phenethyl-1-[1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-phenethyl-1-[1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-phenethyl-1-[1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide CAS Name: N-phenethyl-1-[1-[3-(1-pyrazolyl)propyl]-4-piperidin-1-iumyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-phenethyl-1-[1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-phenethyl-1-[1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Formula: C25H39N5O+2 MolecularWeight: 425.61006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCCC2=CC=CC=C2)C3CC[NH+](CC3)CCCN4C=CC=N4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCCC2=CC=CC=C2)C3CC[NH+](CC3)CCCN4C=CC=N4

InChI

InChI=1S/C25H37N5O/c31-25(26-14-8-22-6-2-1-3-7-22)23-9-20-29(21-10-23)24-11-18-28(19-12-24)15-5-17-30-16-4-13-27-30/h1-4,6-7,13,16,23-24H,5,8-12,14-15,17-21H2,(H,26,31)/p+2