4-[(4-ethoxyphenyl)methyl]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(4-ethoxyphenyl)methyl]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[(4-ethoxyphenyl)methyl]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[(4-ethoxyphenyl)methyl]-N-[[4-(1-pyrazolylmethyl)phenyl]methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(4-ethoxyphenyl)methyl]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-(4-ethoxybenzyl)-N-[4-(pyrazol-1-ylmethyl)benzyl]piperazin-4-ium-1-carboxamide Formula: C25H32N5O2+ MolecularWeight: 434.55388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)NCC3=CC=C(C=C3)CN4C=CC=N4

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)NCC3=CC=C(C=C3)CN4C=CC=N4

InChI

InChI=1S/C25H31N5O2/c1-2-32-24-10-8-22(9-11-24)19-28-14-16-29(17-15-28)25(31)26-18-21-4-6-23(7-5-21)20-30-13-3-12-27-30/h3-13H,2,14-20H2,1H3,(H,26,31)/p+1