2-[(S)-(5-chloranyl-2-methoxy-phenyl)-piperazin-4-ium-1-yl-methyl]-4-methyl-1,3-thiazole

Systemtic Name: 2-[(S)-(5-chloranyl-2-methoxy-phenyl)-piperazin-4-ium-1-yl-methyl]-4-methyl-1,3-thiazole Openeye Name: 2-[(S)-(5-chloro-2-methoxy-phenyl)-piperazin-4-ium-1-yl-methyl]-4-methyl-thiazole CAS Name: 2-[(S)-(5-chloro-2-methoxyphenyl)-(1-piperazin-4-iumyl)methyl]-4-methylthiazole IUPAC Name: 2-[(S)-(5-chloro-2-methoxyphenyl)-piperazin-4-ium-1-ylmethyl]-4-methyl-1,3-thiazole Traditional Name: 2-[(S)-(5-chloro-2-methoxy-phenyl)-piperazin-4-ium-1-yl-methyl]-4-methyl-thiazole Formula: C16H21ClN3OS+ MolecularWeight: 338.87544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN3OS/c1-11-10-22-16(19-11)15(20-7-5-18-6-8-20)13-9-12(17)3-4-14(13)21-2/h3-4,9-10,15,18H,5-8H2,1-2H3/p+1/t15-/m0/s1