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

Systemtic Name: 4-(3,4-dimethoxyphenyl)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2-oxazol-5-amine Openeye Name: 4-(3,4-dimethoxyphenyl)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]isoxazol-5-amine CAS Name: 4-(3,4-dimethoxyphenyl)-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-5-isoxazolamine IUPAC Name: 4-(3,4-dimethoxyphenyl)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2-oxazol-5-amine Traditional Name: [4-(3,4-dimethoxyphenyl)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]isoxazol-5-yl]amine Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(ON=C2C[NH+]3CCN(CC3)C4=CC=CC=C4)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(ON=C2C[NH+]3CCN(CC3)C4=CC=CC=C4)N)OC

InChI

InChI=1S/C22H26N4O3/c1-27-19-9-8-16(14-20(19)28-2)21-18(24-29-22(21)23)15-25-10-12-26(13-11-25)17-6-4-3-5-7-17/h3-9,14H,10-13,15,23H2,1-2H3/p+1