N-but-3-enyl-1-[(E)-hex-4-enyl]-3-(7-hexoxy-1,3-benzothiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-amine

Systemtic Name: N-but-3-enyl-1-[(E)-hex-4-enyl]-3-(7-hexoxy-1,3-benzothiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-amine Openeye Name: N-but-3-enyl-1-[(E)-hex-4-enyl]-3-(7-hexoxy-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-amine CAS Name: N-but-3-enyl-1-[(E)-hex-4-enyl]-3-(7-hexoxy-1,3-benzothiazol-2-yl)-3-oxido-4-imidazolidin-3-iumamine IUPAC Name: N-but-3-enyl-1-[(E)-hex-4-enyl]-3-(7-hexoxy-1,3-benzothiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-amine Traditional Name: but-3-enyl-[1-[(E)-hex-4-enyl]-3-(7-hexoxy-1,3-benzothiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl]amine Formula: C26H40N4O2S MolecularWeight: 472.6864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC2=C1SC(=N2)[N+]3(CN(CC3NCCC=C)CCCC=CC)[O-]

Isomeric SMILES

CCCCCCOC1=CC=CC2=C1SC(=N2)[N+]3(CN(CC3NCCC=C)CCC/C=C/C)[O-]

InChI

InChI=1S/C26H40N4O2S/c1-4-7-10-12-18-29-20-24(27-17-9-6-3)30(31,21-29)26-28-22-15-14-16-23(25(22)33-26)32-19-13-11-8-5-2/h4,6-7,14-16,24,27H,3,5,8-13,17-21H2,1-2H3/b7-4+