N'-[2-[3-[(2Z)-2-[[1-[3-[2-(2-azanylethylamino)ethylamino]propyl]quinolin-1-ium-4-yl]methylidene]-1,3-benzothiazol-3-yl]propylamino]ethyl]ethane-1,2-diamine

Systemtic Name: N'-[2-[3-[(2Z)-2-[[1-[3-[2-(2-azanylethylamino)ethylamino]propyl]quinolin-1-ium-4-yl]methylidene]-1,3-benzothiazol-3-yl]propylamino]ethyl]ethane-1,2-diamine Openeye Name: N'-[2-[3-[(2Z)-2-[[1-[3-[2-(2-aminoethylamino)ethylamino]propyl]quinolin-1-ium-4-yl]methylene]-1,3-benzothiazol-3-yl]propylamino]ethyl]ethane-1,2-diamine CAS Name: N'-[2-[3-[(2Z)-2-[[1-[3-[2-(2-aminoethylamino)ethylamino]propyl]-4-quinolin-1-iumyl]methylidene]-1,3-benzothiazol-3-yl]propylamino]ethyl]ethane-1,2-diamine IUPAC Name: N'-[2-[3-[(2Z)-2-[[1-[3-[2-(2-aminoethylamino)ethylamino]propyl]quinolin-1-ium-4-yl]methylidene]-1,3-benzothiazol-3-yl]propylamino]ethyl]ethane-1,2-diamine Traditional Name: 2-aminoethyl-[2-[3-[4-[(Z)-[3-[3-[2-(2-aminoethylamino)ethylamino]propyl]-1,3-benzothiazol-2-ylidene]methyl]quinolin-1-ium-1-yl]propylamino]ethyl]amine Formula: C31H47N8S+ MolecularWeight: 563.82348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=[N+]2CCCNCCNCCN)C=C3N(C4=CC=CC=C4S3)CCCNCCNCCN

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=[N+]2CCCNCCNCCN)/C=C\3/N(C4=CC=CC=C4S3)CCCNCCNCCN

InChI

InChI=1S/C31H47N8S/c32-12-16-36-20-18-34-14-5-22-38-24-11-26(27-7-1-2-8-28(27)38)25-31-39(29-9-3-4-10-30(29)40-31)23-6-15-35-19-21-37-17-13-33/h1-4,7-11,24-25,34-37H,5-6,12-23,32-33H2/q+1