2-[(S)-(3,4-dimethoxyphenyl)-piperazin-4-ium-1-yl-methyl]-4-methyl-1,3-thiazole

Systemtic Name: 2-[(S)-(3,4-dimethoxyphenyl)-piperazin-4-ium-1-yl-methyl]-4-methyl-1,3-thiazole Openeye Name: 2-[(S)-(3,4-dimethoxyphenyl)-piperazin-4-ium-1-yl-methyl]-4-methyl-thiazole CAS Name: 2-[(S)-(3,4-dimethoxyphenyl)-(1-piperazin-4-iumyl)methyl]-4-methylthiazole IUPAC Name: 2-[(S)-(3,4-dimethoxyphenyl)-piperazin-4-ium-1-ylmethyl]-4-methyl-1,3-thiazole Traditional Name: 2-[(S)-(3,4-dimethoxyphenyl)-piperazin-4-ium-1-yl-methyl]-4-methyl-thiazole Formula: C17H24N3O2S+ MolecularWeight: 334.45636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C2=CC(=C(C=C2)OC)OC)N3CC[NH2+]CC3

Isomeric SMILES

CC1=CSC(=N1)[C@H](C2=CC(=C(C=C2)OC)OC)N3CC[NH2+]CC3

InChI

InChI=1S/C17H23N3O2S/c1-12-11-23-17(19-12)16(20-8-6-18-7-9-20)13-4-5-14(21-2)15(10-13)22-3/h4-5,10-11,16,18H,6-9H2,1-3H3/p+1/t16-/m0/s1