3-(5-butoxy-1,3-benzothiazol-2-yl)-3-oxidanidyl-1-pent-4-enyl-N-prop-2-enyl-imidazolidin-3-ium-4-amine

Systemtic Name: 3-(5-butoxy-1,3-benzothiazol-2-yl)-3-oxidanidyl-1-pent-4-enyl-N-prop-2-enyl-imidazolidin-3-ium-4-amine Openeye Name: N-allyl-3-(5-butoxy-1,3-benzothiazol-2-yl)-3-oxido-1-pent-4-enyl-imidazolidin-3-ium-4-amine CAS Name: 3-(5-butoxy-1,3-benzothiazol-2-yl)-3-oxido-1-pent-4-enyl-N-prop-2-enyl-4-imidazolidin-3-iumamine IUPAC Name: 3-(5-butoxy-1,3-benzothiazol-2-yl)-3-oxido-1-pent-4-enyl-N-prop-2-enylimidazolidin-3-ium-4-amine Traditional Name: allyl-[3-(5-butoxy-1,3-benzothiazol-2-yl)-3-oxido-1-pent-4-enyl-imidazolidin-3-ium-4-yl]amine Formula: C22H32N4O2S MolecularWeight: 416.58008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)SC(=N2)[N+]3(CN(CC3NCC=C)CCCC=C)[O-]

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)SC(=N2)[N+]3(CN(CC3NCC=C)CCCC=C)[O-]

InChI

InChI=1S/C22H32N4O2S/c1-4-7-9-13-25-16-21(23-12-6-3)26(27,17-25)22-24-19-15-18(28-14-8-5-2)10-11-20(19)29-22/h4,6,10-11,15,21,23H,1,3,5,7-9,12-14,16-17H2,2H3