N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide CAS Name: N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Formula: C27H41N5O+2 MolecularWeight: 451.64734

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NNC(=C2)CNC(=O)C3CC[NH+](CC3)C4CC[NH+](CC4)CCCC5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NNC(=C2)CNC(=O)C3CC[NH+](CC3)C4CC[NH+](CC4)CCCC5=CC=CC=C5

InChI

InChI=1S/C27H39N5O/c33-27(28-20-24-19-26(30-29-24)22-8-9-22)23-10-17-32(18-11-23)25-12-15-31(16-13-25)14-4-7-21-5-2-1-3-6-21/h1-3,5-6,19,22-23,25H,4,7-18,20H2,(H,28,33)(H,29,30)/p+2