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

Systemtic Name: (3-methoxy-4-methyl-phenyl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (3-methoxy-4-methyl-phenyl)-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (3-methoxy-4-methylphenyl)-[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3-methoxy-4-methylphenyl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (3-methoxy-4-methyl-phenyl)-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone Formula: C23H26N3O2S+ MolecularWeight: 408.53644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CC=CC=C4)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CC=CC=C4)OC

InChI

InChI=1S/C23H25N3O2S/c1-17-8-9-19(14-21(17)28-2)23(27)26-12-10-25(11-13-26)15-20-16-29-22(24-20)18-6-4-3-5-7-18/h3-9,14,16H,10-13,15H2,1-2H3/p+1