2-[(2S)-1-[(4-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(3-indol-1-ylpropyl)ethanamide

Systemtic Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(3-indol-1-ylpropyl)ethanamide Openeye Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(3-indol-1-ylpropyl)acetamide CAS Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[3-(1-indolyl)propyl]acetamide IUPAC Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(3-indol-1-ylpropyl)acetamide Traditional Name: 2-[(2S)-1-(4-ethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]-N-(3-indol-1-ylpropyl)acetamide Formula: C26H33N4O3+ MolecularWeight: 449.56522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)NCCCN3C=CC4=CC=CC=C43

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)[C@@H]2CC(=O)NCCCN3C=CC4=CC=CC=C43

InChI

InChI=1S/C26H32N4O3/c1-2-33-22-10-8-20(9-11-22)19-30-17-14-28-26(32)24(30)18-25(31)27-13-5-15-29-16-12-21-6-3-4-7-23(21)29/h3-4,6-12,16,24H,2,5,13-15,17-19H2,1H3,(H,27,31)(H,28,32)/p+1/t24-/m0/s1