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

Systemtic Name: 2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)ethanamide Openeye Name: 2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide CAS Name: 2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-methyl-N-(2-pyrazinylmethyl)acetamide IUPAC Name: 2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-(4-methoxy-3-methyl-benzyl)piperazin-1-ium-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)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)N(C)CC3=NC=CN=C3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)N(C)CC3=NC=CN=C3)OC

InChI

InChI=1S/C21H27N5O3/c1-15-10-16(4-5-19(15)29-3)13-26-9-8-24-21(28)18(26)11-20(27)25(2)14-17-12-22-6-7-23-17/h4-7,10,12,18H,8-9,11,13-14H2,1-3H3,(H,24,28)/p+1/t18-/m1/s1