N-[3-(4-ethylpiperazin-4-ium-1-yl)propyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-[3-(4-ethylpiperazin-4-ium-1-yl)propyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide Openeye Name: N-[3-(4-ethylpiperazin-4-ium-1-yl)propyl]-2-[(4-methylphenoxy)methyl]thiazole-4-carboxamide CAS Name: N-[3-(4-ethyl-1-piperazin-4-iumyl)propyl]-2-[(4-methylphenoxy)methyl]-4-thiazolecarboxamide IUPAC Name: N-[3-(4-ethylpiperazin-4-ium-1-yl)propyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide Traditional Name: N-[3-(4-ethylpiperazin-4-ium-1-yl)propyl]-2-[(4-methylphenoxy)methyl]thiazole-4-carboxamide Formula: C21H31N4O2S+ MolecularWeight: 403.56144

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CCCNC(=O)C2=CSC(=N2)COC3=CC=C(C=C3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)CCCNC(=O)C2=CSC(=N2)COC3=CC=C(C=C3)C

InChI

InChI=1S/C21H30N4O2S/c1-3-24-11-13-25(14-12-24)10-4-9-22-21(26)19-16-28-20(23-19)15-27-18-7-5-17(2)6-8-18/h5-8,16H,3-4,9-15H2,1-2H3,(H,22,26)/p+1