4-(3,4-dimethoxyphenyl)-3-(piperidin-1-ium-1-ylmethyl)-1,2-oxazol-5-amine

Systemtic Name: 4-(3,4-dimethoxyphenyl)-3-(piperidin-1-ium-1-ylmethyl)-1,2-oxazol-5-amine Openeye Name: 4-(3,4-dimethoxyphenyl)-3-(piperidin-1-ium-1-ylmethyl)isoxazol-5-amine CAS Name: 4-(3,4-dimethoxyphenyl)-3-(1-piperidin-1-iumylmethyl)-5-isoxazolamine IUPAC Name: 4-(3,4-dimethoxyphenyl)-3-(piperidin-1-ium-1-ylmethyl)-1,2-oxazol-5-amine Traditional Name: [4-(3,4-dimethoxyphenyl)-3-(piperidin-1-ium-1-ylmethyl)isoxazol-5-yl]amine Formula: C17H24N3O3+ MolecularWeight: 318.39076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(ON=C2C[NH+]3CCCCC3)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(ON=C2C[NH+]3CCCCC3)N)OC

InChI

InChI=1S/C17H23N3O3/c1-21-14-7-6-12(10-15(14)22-2)16-13(19-23-17(16)18)11-20-8-4-3-5-9-20/h6-7,10H,3-5,8-9,11,18H2,1-2H3/p+1