3-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole

Systemtic Name: 3-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole Openeye Name: 3-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole CAS Name: 3-[[4-(2-pyrazinyl)-1-piperazin-1-iumyl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole IUPAC Name: 3-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole Traditional Name: 3-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-4,5,6,7-tetrahydroindoxazene Formula: C16H22N5O+ MolecularWeight: 300.37878

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NO2)C[NH+]3CCN(CC3)C4=NC=CN=C4

Isomeric SMILES

C1CCC2=C(C1)C(=NO2)C[NH+]3CCN(CC3)C4=NC=CN=C4

InChI

InChI=1S/C16H21N5O/c1-2-4-15-13(3-1)14(19-22-15)12-20-7-9-21(10-8-20)16-11-17-5-6-18-16/h5-6,11H,1-4,7-10,12H2/p+1