N-[(1-ethylpyrazol-4-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[(1-ethylpyrazol-4-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(1-ethylpyrazol-4-yl)methyl]-1-[1-(o-tolylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide CAS Name: N-[(1-ethyl-4-pyrazolyl)methyl]-1-[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(1-ethylpyrazol-4-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-[(1-ethylpyrazol-4-yl)methyl]-1-[1-(2-methylbenzyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Formula: C25H39N5O+2 MolecularWeight: 425.61006

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CNC(=O)C2CC[NH+](CC2)C3CC[NH+](CC3)CC4=CC=CC=C4C

Isomeric SMILES

CCN1C=C(C=N1)CNC(=O)C2CC[NH+](CC2)C3CC[NH+](CC3)CC4=CC=CC=C4C

InChI

InChI=1S/C25H37N5O/c1-3-30-18-21(17-27-30)16-26-25(31)22-8-14-29(15-9-22)24-10-12-28(13-11-24)19-23-7-5-4-6-20(23)2/h4-7,17-18,22,24H,3,8-16,19H2,1-2H3,(H,26,31)/p+2