6-[4-[(E,3E)-3-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]hexanoate

Systemtic Name: 6-[4-[(E,3E)-3-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]hexanoate Openeye Name: 6-[4-[(E,3E)-3-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]hexanoate CAS Name: 6-[4-[(E,3E)-3-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1-quinolin-1-iumyl]hexanoate IUPAC Name: 6-[4-[(E,3E)-3-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]hexanoate Traditional Name: 6-[4-[(E,3E)-3-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]hexanoate Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=CC=CC3=CC=[N+](C4=CC=CC=C34)CCCCCC(=O)[O-]

Isomeric SMILES

CN\1C2=C(C=C(C=C2)[N+](=O)[O-])S/C1=C/C=C/C3=CC=[N+](C4=CC=CC=C34)CCCCCC(=O)[O-]

InChI

InChI=1S/C26H25N3O4S/c1-27-23-14-13-20(29(32)33)18-24(23)34-25(27)11-7-8-19-15-17-28(16-6-2-3-12-26(30)31)22-10-5-4-9-21(19)22/h4-5,7-11,13-15,17-18H,2-3,6,12,16H2,1H3