1-[(4S)-1-(4-methoxyphenyl)-5-oxidanylidene-3-phenyl-4H-pyrazol-4-yl]ethylidene-(3-morpholin-4-ium-4-ylpropyl)azanium

Systemtic Name: 1-[(4S)-1-(4-methoxyphenyl)-5-oxidanylidene-3-phenyl-4H-pyrazol-4-yl]ethylidene-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: 1-[(4S)-1-(4-methoxyphenyl)-5-oxo-3-phenyl-4H-pyrazol-4-yl]ethylidene-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: 1-[(4S)-1-(4-methoxyphenyl)-5-oxo-3-phenyl-4H-pyrazol-4-yl]ethylidene-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: 1-[(4S)-1-(4-methoxyphenyl)-5-oxo-3-phenyl-4H-pyrazol-4-yl]ethylidene-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: 1-[(4S)-5-keto-1-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-4-yl]ethylidene-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C25H32N4O3+2 MolecularWeight: 436.54658

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[NH+]CCC[NH+]1CCOCC1)C2C(=NN(C2=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CC(=[NH+]CCC[NH+]1CCOCC1)[C@H]2C(=NN(C2=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O3/c1-19(26-13-6-14-28-15-17-32-18-16-28)23-24(20-7-4-3-5-8-20)27-29(25(23)30)21-9-11-22(31-2)12-10-21/h3-5,7-12,23H,6,13-18H2,1-2H3/p+2/t23-/m0/s1