N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[(2S)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[(2S)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-methyl-N-[(3-methyl-2-thienyl)methyl]-2-[(2S)-3-oxo-1-phenethyl-piperazin-1-ium-2-yl]acetamide CAS Name: N-methyl-N-[(3-methyl-2-thiophenyl)methyl]-2-[(2S)-3-oxo-1-phenethyl-2-piperazin-1-iumyl]acetamide IUPAC Name: N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[(2S)-3-oxo-1-phenethylpiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2S)-3-keto-1-phenethyl-piperazin-1-ium-2-yl]-N-methyl-N-[(3-methyl-2-thienyl)methyl]acetamide Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(C)C(=O)CC2C(=O)NCC[NH+]2CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC=C1)CN(C)C(=O)C[C@H]2C(=O)NCC[NH+]2CCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2S/c1-16-9-13-27-19(16)15-23(2)20(25)14-18-21(26)22-10-12-24(18)11-8-17-6-4-3-5-7-17/h3-7,9,13,18H,8,10-12,14-15H2,1-2H3,(H,22,26)/p+1/t18-/m0/s1