2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(2-methyl-1H-indol-5-yl)methyl]ethanamide

Systemtic Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(2-methyl-1H-indol-5-yl)methyl]ethanamide Openeye Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-[(2-methyl-1H-indol-5-yl)methyl]acetamide CAS Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[(2-methyl-1H-indol-5-yl)methyl]acetamide IUPAC Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-[(2-methyl-1H-indol-5-yl)methyl]acetamide Traditional Name: 2-[(2R)-1-(4-ethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]-N-[(2-methyl-1H-indol-5-yl)methyl]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)NCC3=CC4=C(C=C3)NC(=C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCC3=CC4=C(C=C3)NC(=C4)C

InChI

InChI=1S/C25H30N4O3/c1-3-32-21-7-4-18(5-8-21)16-29-11-10-26-25(31)23(29)14-24(30)27-15-19-6-9-22-20(13-19)12-17(2)28-22/h4-9,12-13,23,28H,3,10-11,14-16H2,1-2H3,(H,26,31)(H,27,30)/p+1/t23-/m1/s1