N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C[NH+]2CCNC(=O)C2)C3=CNC4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C[NH+]2CCNC(=O)C2)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C23H26N4O3/c1-30-17-8-6-16(7-9-17)19(20-13-25-21-5-3-2-4-18(20)21)12-26-23(29)15-27-11-10-24-22(28)14-27/h2-9,13,19,25H,10-12,14-15H2,1H3,(H,24,28)(H,26,29)/p+1/t19-/m0/s1