[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone

Systemtic Name: [4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone Openeye Name: [4-[(2-methylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone CAS Name: [4-[(2-methyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]-(4-phenylphenyl)methanone IUPAC Name: [4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone Traditional Name: [4-[(2-methylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]-(4-phenylphenyl)methanone Formula: C22H24N3OS+ MolecularWeight: 378.51046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CS1)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3OS/c1-17-23-21(16-27-17)15-24-11-13-25(14-12-24)22(26)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-10,16H,11-15H2,1H3/p+1