[4-(phenylmethyl)piperazin-4-ium-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone

Systemtic Name: [4-(phenylmethyl)piperazin-4-ium-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(2-phenylthiazol-4-yl)methanone CAS Name: [4-(phenylmethyl)-1-piperazin-4-iumyl]-(2-phenyl-4-thiazolyl)methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(2-phenylthiazol-4-yl)methanone Formula: C21H22N3OS+ MolecularWeight: 364.48388

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CSC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3OS/c25-21(19-16-26-20(22-19)18-9-5-2-6-10-18)24-13-11-23(12-14-24)15-17-7-3-1-4-8-17/h1-10,16H,11-15H2/p+1