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

Systemtic Name: 4-[(S)-(4-chlorophenyl)-(pyridin-1-ium-2-ylamino)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[(S)-(4-chlorophenyl)-(pyridin-1-ium-2-ylamino)methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(S)-(4-chlorophenyl)-(2-pyridin-1-iumylamino)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(S)-(4-chlorophenyl)-(pyridin-1-ium-2-ylamino)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[(S)-(4-chlorophenyl)-(pyridin-1-ium-2-ylamino)methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C23H22ClN4O+ MolecularWeight: 405.89998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClN4O/c1-16-21(23(29)28(27(16)2)19-8-4-3-5-9-19)22(17-11-13-18(24)14-12-17)26-20-10-6-7-15-25-20/h3-15,22H,1-2H3,(H,25,26)/p+1/t22-/m0/s1