3-[4-[(E,3E)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]propan-1-ol

Systemtic Name: 3-[4-[(E,3E)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]propan-1-ol Openeye Name: 3-[4-[(E,3E)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]propan-1-ol CAS Name: 3-[4-[(E,3E)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-1-quinolin-1-iumyl]-1-propanol IUPAC Name: 3-[4-[(E,3E)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]propan-1-ol Traditional Name: 3-[4-[(E,3E)-3-(3-methyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]propan-1-ol Formula: C23H23N2OS+ MolecularWeight: 375.50652

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=CC=CC3=CC=[N+](C4=CC=CC=C34)CCCO

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C/C=C/C3=CC=[N+](C4=CC=CC=C34)CCCO

InChI

InChI=1S/C23H23N2OS/c1-24-21-11-4-5-12-22(21)27-23(24)13-6-8-18-14-16-25(15-7-17-26)20-10-3-2-9-19(18)20/h2-6,8-14,16,26H,7,15,17H2,1H3/q+1