3-oxidanidyl-1-prop-2-enyl-3-(5-propyl-1,3-benzothiazol-2-yl)imidazolidin-3-ium-4-ol

Systemtic Name: 3-oxidanidyl-1-prop-2-enyl-3-(5-propyl-1,3-benzothiazol-2-yl)imidazolidin-3-ium-4-ol Openeye Name: 1-allyl-3-oxido-3-(5-propyl-1,3-benzothiazol-2-yl)imidazolidin-3-ium-4-ol CAS Name: 3-oxido-1-prop-2-enyl-3-(5-propyl-1,3-benzothiazol-2-yl)-4-imidazolidin-3-iumol IUPAC Name: 3-oxido-1-prop-2-enyl-3-(5-propyl-1,3-benzothiazol-2-yl)imidazolidin-3-ium-4-ol Traditional Name: 1-allyl-3-oxido-3-(5-propyl-1,3-benzothiazol-2-yl)imidazolidin-3-ium-4-ol Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1)SC(=N2)[N+]3(CN(CC3O)CC=C)[O-]

Isomeric SMILES

CCCC1=CC2=C(C=C1)SC(=N2)[N+]3(CN(CC3O)CC=C)[O-]

InChI

InChI=1S/C16H21N3O2S/c1-3-5-12-6-7-14-13(9-12)17-16(22-14)19(21)11-18(8-4-2)10-15(19)20/h4,6-7,9,15,20H,2-3,5,8,10-11H2,1H3