2-[4-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]piperazin-4-ium-1-yl]-4-methyl-1,3-thiazole

Systemtic Name: 2-[4-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]piperazin-4-ium-1-yl]-4-methyl-1,3-thiazole Openeye Name: 2-[4-[(1R)-2-(1,3-benzodioxol-5-yl)-1-methyl-ethyl]piperazin-4-ium-1-yl]-4-methyl-thiazole CAS Name: 2-[4-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-piperazin-4-iumyl]-4-methylthiazole IUPAC Name: 2-[4-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]piperazin-4-ium-1-yl]-4-methyl-1,3-thiazole Traditional Name: 2-[4-[(1R)-2-(1,3-benzodioxol-5-yl)-1-methyl-ethyl]piperazin-4-ium-1-yl]-4-methyl-thiazole Formula: C18H24N3O2S+ MolecularWeight: 346.46706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)N2CC[NH+](CC2)C(C)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CSC(=N1)N2CC[NH+](CC2)[C@H](C)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H23N3O2S/c1-13-11-24-18(19-13)21-7-5-20(6-8-21)14(2)9-15-3-4-16-17(10-15)23-12-22-16/h3-4,10-11,14H,5-9,12H2,1-2H3/p+1/t14-/m1/s1