[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)-[(4-pyrazol-1-ylphenyl)methyl]azanium

Systemtic Name: [4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)-[(4-pyrazol-1-ylphenyl)methyl]azanium Openeye Name: [4-(cyclopropylcarbamoyl)phenyl]methyl-(2-furylmethyl)-[(4-pyrazol-1-ylphenyl)methyl]ammonium CAS Name: [4-[(cyclopropylamino)-oxomethyl]phenyl]methyl-(2-furanylmethyl)-[[4-(1-pyrazolyl)phenyl]methyl]ammonium IUPAC Name: [4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)-[(4-pyrazol-1-ylphenyl)methyl]azanium Traditional Name: [4-(cyclopropylcarbamoyl)benzyl]-(2-furfuryl)-(4-pyrazol-1-ylbenzyl)ammonium Formula: C26H27N4O2+ MolecularWeight: 427.51818

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC=C(C=C2)C[NH+](CC3=CC=C(C=C3)N4C=CC=N4)CC5=CC=CO5

Isomeric SMILES

C1CC1NC(=O)C2=CC=C(C=C2)C[NH+](CC3=CC=C(C=C3)N4C=CC=N4)CC5=CC=CO5

InChI

InChI=1S/C26H26N4O2/c31-26(28-23-10-11-23)22-8-4-20(5-9-22)17-29(19-25-3-1-16-32-25)18-21-6-12-24(13-7-21)30-15-2-14-27-30/h1-9,12-16,23H,10-11,17-19H2,(H,28,31)/p+1