[(2S)-2-methyl-4-(phenylmethyl)piperazin-4-ium-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone

Systemtic Name: [(2S)-2-methyl-4-(phenylmethyl)piperazin-4-ium-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone Openeye Name: [(2S)-4-benzyl-2-methyl-piperazin-4-ium-1-yl]-[2-(2-thienyl)thiazol-4-yl]methanone CAS Name: [(2S)-2-methyl-4-(phenylmethyl)-1-piperazin-4-iumyl]-(2-thiophen-2-yl-4-thiazolyl)methanone IUPAC Name: [(2S)-4-benzyl-2-methylpiperazin-4-ium-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone Traditional Name: [(2S)-4-benzyl-2-methyl-piperazin-4-ium-1-yl]-[2-(2-thienyl)thiazol-4-yl]methanone Formula: C20H22N3OS2+ MolecularWeight: 384.53818

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CCN1C(=O)C2=CSC(=N2)C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

C[C@H]1C[NH+](CCN1C(=O)C2=CSC(=N2)C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C20H21N3OS2/c1-15-12-22(13-16-6-3-2-4-7-16)9-10-23(15)20(24)17-14-26-19(21-17)18-8-5-11-25-18/h2-8,11,14-15H,9-10,12-13H2,1H3/p+1/t15-/m0/s1