methyl-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-[(4-piperidin-1-ylphenyl)methyl]azanium

Systemtic Name: methyl-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-[(4-piperidin-1-ylphenyl)methyl]azanium Openeye Name: methyl-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-[[4-(1-piperidyl)phenyl]methyl]ammonium CAS Name: methyl-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-[[4-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: methyl-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-[(4-piperidin-1-ylphenyl)methyl]azanium Traditional Name: [2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl]-methyl-(4-piperidinobenzyl)ammonium Formula: C24H31N4O+ MolecularWeight: 391.52914

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)N2CCCCC2)CC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)N2CCCCC2)CC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C24H30N4O/c1-26(18-20-10-12-22(13-11-20)27-15-6-3-7-16-27)19-24(29)28-17-14-23(25-28)21-8-4-2-5-9-21/h2,4-5,8-13H,3,6-7,14-19H2,1H3/p+1