(E)-2-(1,3-benzothiazol-3-ium-2-yl)-3-(7-methyl-2-morpholin-4-yl-quinolin-3-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(1,3-benzothiazol-3-ium-2-yl)-3-(7-methyl-2-morpholin-4-yl-quinolin-3-yl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-3-ium-2-yl)-3-(7-methyl-2-morpholino-3-quinolyl)prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-3-ium-2-yl)-3-[7-methyl-2-(4-morpholinyl)-3-quinolinyl]-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-3-ium-2-yl)-3-(7-methyl-2-morpholin-4-ylquinolin-3-yl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-3-ium-2-yl)-3-(7-methyl-2-morpholino-3-quinolyl)acrylonitrile Formula: C24H21N4OS+ MolecularWeight: 413.51474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C=C(C#N)C3=[NH+]C4=CC=CC=C4S3)N5CCOCC5

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)/C=C(\C#N)/C3=[NH+]C4=CC=CC=C4S3)N5CCOCC5

InChI

InChI=1S/C24H20N4OS/c1-16-6-7-17-13-18(23(26-21(17)12-16)28-8-10-29-11-9-28)14-19(15-25)24-27-20-4-2-3-5-22(20)30-24/h2-7,12-14H,8-11H2,1H3/p+1/b19-14+