2-(4-tert-butylphenoxy)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole

Systemtic Name: 2-(4-tert-butylphenoxy)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Openeye Name: 2-(4-tert-butylphenoxy)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]thiazole CAS Name: 2-(4-tert-butylphenoxy)-5-[(4-phenyl-1-piperazin-1-iumyl)methyl]thiazole IUPAC Name: 2-(4-tert-butylphenoxy)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Traditional Name: 2-(4-tert-butylphenoxy)-5-[(4-phenylpiperazin-1-ium-1-yl)methyl]thiazole Formula: C24H30N3OS+ MolecularWeight: 408.5795

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=NC=C(S2)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=NC=C(S2)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H29N3OS/c1-24(2,3)19-9-11-21(12-10-19)28-23-25-17-22(29-23)18-26-13-15-27(16-14-26)20-7-5-4-6-8-20/h4-12,17H,13-16,18H2,1-3H3/p+1