N-[2-(2-methylindol-1-yl)ethyl]-2-[(2R)-3-oxidanylidene-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[2-(2-methylindol-1-yl)ethyl]-2-[(2R)-3-oxidanylidene-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[2-(2-methylindol-1-yl)ethyl]-2-[(2R)-3-oxo-1-(2-thienylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: N-[2-(2-methyl-1-indolyl)ethyl]-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(2-methylindol-1-yl)ethyl]-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-(2-methylindol-1-yl)ethyl]acetamide Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2N1CCNC(=O)CC3C(=O)NCC[NH+]3CC4=CC=CS4

Isomeric SMILES

CC1=CC2=CC=CC=C2N1CCNC(=O)C[C@@H]3C(=O)NCC[NH+]3CC4=CC=CS4

InChI

InChI=1S/C22H26N4O2S/c1-16-13-17-5-2-3-7-19(17)26(16)11-9-23-21(27)14-20-22(28)24-8-10-25(20)15-18-6-4-12-29-18/h2-7,12-13,20H,8-11,14-15H2,1H3,(H,23,27)(H,24,28)/p+1/t20-/m1/s1