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

Systemtic Name: (E)-2-(1,3-benzothiazol-3-ium-2-yl)-3-(7-methyl-2-piperidin-1-yl-quinolin-3-yl)prop-2-enenitrile Openeye Name: (E)-2-(1,3-benzothiazol-3-ium-2-yl)-3-[7-methyl-2-(1-piperidyl)-3-quinolyl]prop-2-enenitrile CAS Name: (E)-2-(1,3-benzothiazol-3-ium-2-yl)-3-[7-methyl-2-(1-piperidinyl)-3-quinolinyl]-2-propenenitrile IUPAC Name: (E)-2-(1,3-benzothiazol-3-ium-2-yl)-3-(7-methyl-2-piperidin-1-ylquinolin-3-yl)prop-2-enenitrile Traditional Name: (E)-2-(1,3-benzothiazol-3-ium-2-yl)-3-(7-methyl-2-piperidino-3-quinolyl)acrylonitrile Formula: C25H23N4S+ MolecularWeight: 411.54192

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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)N5CCCCC5

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)/C=C(\C#N)/C3=[NH+]C4=CC=CC=C4S3)N5CCCCC5

InChI

InChI=1S/C25H22N4S/c1-17-9-10-18-14-19(24(27-22(18)13-17)29-11-5-2-6-12-29)15-20(16-26)25-28-21-7-3-4-8-23(21)30-25/h3-4,7-10,13-15H,2,5-6,11-12H2,1H3/p+1/b20-15+