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

Systemtic Name: N-methyl-2-[(2R)-3-oxidanylidene-1-(3-phenylpropyl)piperazin-1-ium-2-yl]-N-(pyrazin-2-ylmethyl)ethanamide Openeye Name: N-methyl-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-1-ium-2-yl]-N-(pyrazin-2-ylmethyl)acetamide CAS Name: N-methyl-2-[(2R)-3-oxo-1-(3-phenylpropyl)-2-piperazin-1-iumyl]-N-(2-pyrazinylmethyl)acetamide IUPAC Name: N-methyl-2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-1-ium-2-yl]-N-(pyrazin-2-ylmethyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-(3-phenylpropyl)piperazin-1-ium-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide Formula: C21H28N5O2+ MolecularWeight: 382.47932

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC=CN=C1)C(=O)CC2C(=O)NCC[NH+]2CCCC3=CC=CC=C3

Isomeric SMILES

CN(CC1=NC=CN=C1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CCCC3=CC=CC=C3

InChI

InChI=1S/C21H27N5O2/c1-25(16-18-15-22-9-10-23-18)20(27)14-19-21(28)24-11-13-26(19)12-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-10,15,19H,5,8,11-14,16H2,1H3,(H,24,28)/p+1/t19-/m1/s1