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

Systemtic Name: 1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]-2-naphthalen-2-yloxy-ethanone Openeye Name: 1-[4-[(2-methylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]-2-(2-naphthyloxy)ethanone CAS Name: 1-[4-[(2-methyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]-2-(2-naphthalenyloxy)ethanone IUPAC Name: 1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]-2-naphthalen-2-yloxyethanone Traditional Name: 1-[4-[(2-methylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]-2-(2-naphthoxy)ethanone Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C[NH+]2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=NC(=CS1)C[NH+]2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H23N3O2S/c1-16-22-19(15-27-16)13-23-8-10-24(11-9-23)21(25)14-26-20-7-6-17-4-2-3-5-18(17)12-20/h2-7,12,15H,8-11,13-14H2,1H3/p+1