1-[4-[(7-methoxy-2-oxidanyl-naphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone

Systemtic Name: 1-[4-[(7-methoxy-2-oxidanyl-naphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone Openeye Name: 1-[4-[(2-hydroxy-7-methoxy-1-naphthyl)methyl]piperazin-4-ium-1-yl]-2-(4-methylthiazol-2-yl)ethanone CAS Name: 1-[4-[(2-hydroxy-7-methoxy-1-naphthalenyl)methyl]-1-piperazin-4-iumyl]-2-(4-methyl-2-thiazolyl)ethanone IUPAC Name: 1-[4-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone Traditional Name: 1-[4-[(2-hydroxy-7-methoxy-1-naphthyl)methyl]piperazin-4-ium-1-yl]-2-(4-methylthiazol-2-yl)ethanone Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)CC(=O)N2CC[NH+](CC2)CC3=C(C=CC4=C3C=C(C=C4)OC)O

Isomeric SMILES

CC1=CSC(=N1)CC(=O)N2CC[NH+](CC2)CC3=C(C=CC4=C3C=C(C=C4)OC)O

InChI

InChI=1S/C22H25N3O3S/c1-15-14-29-21(23-15)12-22(27)25-9-7-24(8-10-25)13-19-18-11-17(28-2)5-3-16(18)4-6-20(19)26/h3-6,11,14,26H,7-10,12-13H2,1-2H3/p+1