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

Systemtic Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]ethanamide Openeye Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide CAS Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[(5-methyl-2-pyrazinyl)methyl]acetamide IUPAC Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide Traditional Name: 2-[(2R)-1-(4-ethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide Formula: C21H28N5O3+ MolecularWeight: 398.47872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)NCC3=NC=C(N=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O3/c1-3-29-18-6-4-16(5-7-18)14-26-9-8-22-21(28)19(26)10-20(27)25-13-17-12-23-15(2)11-24-17/h4-7,11-12,19H,3,8-10,13-14H2,1-2H3,(H,22,28)(H,25,27)/p+1/t19-/m1/s1