1,5-dimethyl-2-phenyl-4-[(S)-phenyl-(pyridin-1-ium-2-ylamino)methyl]pyrazol-3-one

Systemtic Name: 1,5-dimethyl-2-phenyl-4-[(S)-phenyl-(pyridin-1-ium-2-ylamino)methyl]pyrazol-3-one Openeye Name: 1,5-dimethyl-2-phenyl-4-[(S)-phenyl-(pyridin-1-ium-2-ylamino)methyl]pyrazol-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-[(S)-phenyl-(2-pyridin-1-iumylamino)methyl]-3-pyrazolone IUPAC Name: 1,5-dimethyl-2-phenyl-4-[(S)-phenyl-(pyridin-1-ium-2-ylamino)methyl]pyrazol-3-one Traditional Name: 1,5-dimethyl-2-phenyl-4-[(S)-phenyl-(pyridin-1-ium-2-ylamino)methyl]-3-pyrazolin-3-one Formula: C23H23N4O+ MolecularWeight: 371.45492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=CC=C3)NC4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)[C@H](C3=CC=CC=C3)NC4=CC=CC=[NH+]4

InChI

InChI=1S/C23H22N4O/c1-17-21(23(28)27(26(17)2)19-13-7-4-8-14-19)22(18-11-5-3-6-12-18)25-20-15-9-10-16-24-20/h3-16,22H,1-2H3,(H,24,25)/p+1/t22-/m0/s1