3-(1,3-benzothiazol-2-yl)-N-(hexoxymethyl)-3-oxidanidyl-1-pent-4-ynyl-imidazolidin-3-ium-4-amine

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-(hexoxymethyl)-3-oxidanidyl-1-pent-4-ynyl-imidazolidin-3-ium-4-amine Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-(hexoxymethyl)-3-oxido-1-pent-4-ynyl-imidazolidin-3-ium-4-amine CAS Name: 3-(1,3-benzothiazol-2-yl)-N-(hexoxymethyl)-3-oxido-1-pent-4-ynyl-4-imidazolidin-3-iumamine IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-(hexoxymethyl)-3-oxido-1-pent-4-ynylimidazolidin-3-ium-4-amine Traditional Name: [3-(1,3-benzothiazol-2-yl)-3-oxido-1-pent-4-ynyl-imidazolidin-3-ium-4-yl]-(hexoxymethyl)amine Formula: C22H32N4O2S MolecularWeight: 416.58008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCNC1CN(C[N+]1(C2=NC3=CC=CC=C3S2)[O-])CCCC#C

Isomeric SMILES

CCCCCCOCNC1CN(C[N+]1(C2=NC3=CC=CC=C3S2)[O-])CCCC#C

InChI

InChI=1S/C22H32N4O2S/c1-3-5-7-11-15-28-17-23-21-16-25(14-10-6-4-2)18-26(21,27)22-24-19-12-8-9-13-20(19)29-22/h2,8-9,12-13,21,23H,3,5-7,10-11,14-18H2,1H3