N-[(2-methyl-1H-indol-5-yl)methyl]-2-[(2R)-3-oxidanylidene-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[(2-methyl-1H-indol-5-yl)methyl]-2-[(2R)-3-oxidanylidene-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(2-methyl-1H-indol-5-yl)methyl]-2-[(2R)-3-oxo-1-(2-thienylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: N-[(2-methyl-1H-indol-5-yl)methyl]-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2-methyl-1H-indol-5-yl)methyl]-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(2-thenyl)piperazin-1-ium-2-yl]-N-[(2-methyl-1H-indol-5-yl)methyl]acetamide Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1)C=CC(=C2)CNC(=O)CC3C(=O)NCC[NH+]3CC4=CC=CS4

Isomeric SMILES

CC1=CC2=C(N1)C=CC(=C2)CNC(=O)C[C@@H]3C(=O)NCC[NH+]3CC4=CC=CS4

InChI

InChI=1S/C21H24N4O2S/c1-14-9-16-10-15(4-5-18(16)24-14)12-23-20(26)11-19-21(27)22-6-7-25(19)13-17-3-2-8-28-17/h2-5,8-10,19,24H,6-7,11-13H2,1H3,(H,22,27)(H,23,26)/p+1/t19-/m1/s1