4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-5-methyl-2-phenyl-1,3-oxazole

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-5-methyl-2-phenyl-1,3-oxazole Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-5-methyl-2-phenyl-oxazole CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-5-methyl-2-phenyloxazole IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-5-methyl-2-phenyl-1,3-oxazole Traditional Name: 5-methyl-2-phenyl-4-[(4-piperonylpiperazin-1-ium-1-yl)methyl]oxazole Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H25N3O3/c1-17-20(24-23(29-17)19-5-3-2-4-6-19)15-26-11-9-25(10-12-26)14-18-7-8-21-22(13-18)28-16-27-21/h2-8,13H,9-12,14-16H2,1H3/p+1