4-(3,4-dimethoxyphenyl)-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,2-oxazol-5-amine

Systemtic Name: 4-(3,4-dimethoxyphenyl)-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,2-oxazol-5-amine Openeye Name: 4-(3,4-dimethoxyphenyl)-3-[(4-methylpiperazin-4-ium-1-yl)methyl]isoxazol-5-amine CAS Name: 4-(3,4-dimethoxyphenyl)-3-[(4-methyl-1-piperazin-4-iumyl)methyl]-5-isoxazolamine IUPAC Name: 4-(3,4-dimethoxyphenyl)-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,2-oxazol-5-amine Traditional Name: [4-(3,4-dimethoxyphenyl)-3-[(4-methylpiperazin-4-ium-1-yl)methyl]isoxazol-5-yl]amine Formula: C17H25N4O3+ MolecularWeight: 333.4054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=NOC(=C2C3=CC(=C(C=C3)OC)OC)N

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=NOC(=C2C3=CC(=C(C=C3)OC)OC)N

InChI

InChI=1S/C17H24N4O3/c1-20-6-8-21(9-7-20)11-13-16(17(18)24-19-13)12-4-5-14(22-2)15(10-12)23-3/h4-5,10H,6-9,11,18H2,1-3H3/p+1