3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-4-ium-1-yl]propylazanium

Systemtic Name: 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-4-ium-1-yl]propylazanium Openeye Name: 3-[4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazin-4-ium-1-yl]propylammonium CAS Name: 3-[4-[(3,5-dimethyl-4-isoxazolyl)methyl]-1-piperazin-4-iumyl]propylammonium IUPAC Name: 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-4-ium-1-yl]propylazanium Traditional Name: 3-[4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazin-4-ium-1-yl]propylammonium Formula: C13H26N4O+2 MolecularWeight: 254.37174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C[NH+]2CCN(CC2)CCC[NH3+]

Isomeric SMILES

CC1=C(C(=NO1)C)C[NH+]2CCN(CC2)CCC[NH3+]

InChI

InChI=1S/C13H24N4O/c1-11-13(12(2)18-15-11)10-17-8-6-16(7-9-17)5-3-4-14/h3-10,14H2,1-2H3/p+2