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

Systemtic Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-indol-1-ylethyl)ethanamide Openeye Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(2-indol-1-ylethyl)acetamide CAS Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[2-(1-indolyl)ethyl]acetamide IUPAC Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(2-indol-1-ylethyl)acetamide Traditional Name: 2-[(2R)-1-(4-ethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]-N-(2-indol-1-ylethyl)acetamide Formula: C25H31N4O3+ MolecularWeight: 435.53864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)NCCN3C=CC4=CC=CC=C43

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCCN3C=CC4=CC=CC=C43

InChI

InChI=1S/C25H30N4O3/c1-2-32-21-9-7-19(8-10-21)18-29-16-13-27-25(31)23(29)17-24(30)26-12-15-28-14-11-20-5-3-4-6-22(20)28/h3-11,14,23H,2,12-13,15-18H2,1H3,(H,26,30)(H,27,31)/p+1/t23-/m1/s1