2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-pyrazin-2-ylethyl)ethanamide

Systemtic Name: 2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-pyrazin-2-ylethyl)ethanamide Openeye Name: 2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(2-pyrazin-2-ylethyl)acetamide CAS Name: 2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[2-(2-pyrazinyl)ethyl]acetamide IUPAC Name: 2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(2-pyrazin-2-ylethyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-(4-methoxy-3-methyl-benzyl)piperazin-1-ium-2-yl]-N-(2-pyrazin-2-ylethyl)acetamide Formula: C21H28N5O3+ MolecularWeight: 398.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C[NH+]2CCNC(=O)C2CC(=O)NCCC3=NC=CN=C3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCCC3=NC=CN=C3)OC

InChI

InChI=1S/C21H27N5O3/c1-15-11-16(3-4-19(15)29-2)14-26-10-9-25-21(28)18(26)12-20(27)24-6-5-17-13-22-7-8-23-17/h3-4,7-8,11,13,18H,5-6,9-10,12,14H2,1-2H3,(H,24,27)(H,25,28)/p+1/t18-/m1/s1