(5-chloranylthiophen-2-yl)methyl-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-chloro-2-thienyl)methyl]-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-2-oxoethyl]-prop-2-enylammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-prop-2-enylazanium Traditional Name: allyl-[(5-chloro-2-thienyl)methyl]-[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl]ammonium Formula: C21H24ClN4OS+ MolecularWeight: 415.95946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C[NH+](CC=C)CC3=CC=C(S3)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C[NH+](CC=C)CC3=CC=C(S3)Cl

InChI

InChI=1S/C21H23ClN4OS/c1-4-12-25(13-18-10-11-19(22)28-18)14-20(27)23-21-15(2)24-26(16(21)3)17-8-6-5-7-9-17/h4-11H,1,12-14H2,2-3H3,(H,23,27)/p+1