3-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole

Systemtic Name: 3-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole Openeye Name: 3-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-(2-thienyl)isoxazole CAS Name: 3-[[4-[(4-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-5-thiophen-2-ylisoxazole IUPAC Name: 3-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole Traditional Name: 3-[(4-p-anisylpiperazine-1,4-diium-1-yl)methyl]-5-(2-thienyl)isoxazole Formula: C20H25N3O2S+2 MolecularWeight: 371.4964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=NOC(=C3)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=NOC(=C3)C4=CC=CS4

InChI

InChI=1S/C20H23N3O2S/c1-24-18-6-4-16(5-7-18)14-22-8-10-23(11-9-22)15-17-13-19(25-21-17)20-3-2-12-26-20/h2-7,12-13H,8-11,14-15H2,1H3/p+2