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

Systemtic Name: 4-(3,4-dimethoxyphenyl)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,2-oxazol-5-amine Openeye Name: 4-(3,4-dimethoxyphenyl)-3-(pyrrolidin-1-ium-1-ylmethyl)isoxazol-5-amine CAS Name: 4-(3,4-dimethoxyphenyl)-3-(1-pyrrolidin-1-iumylmethyl)-5-isoxazolamine IUPAC Name: 4-(3,4-dimethoxyphenyl)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,2-oxazol-5-amine Traditional Name: [4-(3,4-dimethoxyphenyl)-3-(pyrrolidin-1-ium-1-ylmethyl)isoxazol-5-yl]amine Formula: C16H22N3O3+ MolecularWeight: 304.36418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(ON=C2C[NH+]3CCCC3)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(ON=C2C[NH+]3CCCC3)N)OC

InChI

InChI=1S/C16H21N3O3/c1-20-13-6-5-11(9-14(13)21-2)15-12(18-22-16(15)17)10-19-7-3-4-8-19/h5-6,9H,3-4,7-8,10,17H2,1-2H3/p+1