N-[3-(4-cyclohexylpiperazin-4-ium-1-yl)propyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]ethanamide

Systemtic Name: N-[3-(4-cyclohexylpiperazin-4-ium-1-yl)propyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]ethanamide Openeye Name: N-[3-(4-cyclohexylpiperazin-4-ium-1-yl)propyl]-2-[[5-(2-thienyl)isoxazol-3-yl]methoxy]acetamide CAS Name: N-[3-(4-cyclohexyl-1-piperazin-4-iumyl)propyl]-2-[(5-thiophen-2-yl-3-isoxazolyl)methoxy]acetamide IUPAC Name: N-[3-(4-cyclohexylpiperazin-4-ium-1-yl)propyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide Traditional Name: N-[3-(4-cyclohexylpiperazin-4-ium-1-yl)propyl]-2-[[5-(2-thienyl)isoxazol-3-yl]methoxy]acetamide Formula: C23H35N4O3S+ MolecularWeight: 447.614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)CCCNC(=O)COCC3=NOC(=C3)C4=CC=CS4

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)CCCNC(=O)COCC3=NOC(=C3)C4=CC=CS4

InChI

InChI=1S/C23H34N4O3S/c28-23(18-29-17-19-16-21(30-25-19)22-8-4-15-31-22)24-9-5-10-26-11-13-27(14-12-26)20-6-2-1-3-7-20/h4,8,15-16,20H,1-3,5-7,9-14,17-18H2,(H,24,28)/p+1