(E)-2-(4-methyl-1,3-thiazol-2-yl)-3-(2-piperidin-1-ylquinolin-1-ium-3-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(4-methyl-1,3-thiazol-2-yl)-3-(2-piperidin-1-ylquinolin-1-ium-3-yl)prop-2-enenitrile Openeye Name: (E)-2-(4-methylthiazol-2-yl)-3-[2-(1-piperidyl)quinolin-1-ium-3-yl]prop-2-enenitrile CAS Name: (E)-2-(4-methyl-2-thiazolyl)-3-[2-(1-piperidinyl)-3-quinolin-1-iumyl]-2-propenenitrile IUPAC Name: (E)-2-(4-methyl-1,3-thiazol-2-yl)-3-(2-piperidin-1-ylquinolin-1-ium-3-yl)prop-2-enenitrile Traditional Name: (E)-2-(4-methylthiazol-2-yl)-3-(2-piperidinoquinolin-1-ium-3-yl)acrylonitrile Formula: C21H21N4S+ MolecularWeight: 361.48324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(=CC2=CC3=CC=CC=C3[NH+]=C2N4CCCCC4)C#N

Isomeric SMILES

CC1=CSC(=N1)/C(=C/C2=CC3=CC=CC=C3[NH+]=C2N4CCCCC4)/C#N

InChI

InChI=1S/C21H20N4S/c1-15-14-26-21(23-15)18(13-22)12-17-11-16-7-3-4-8-19(16)24-20(17)25-9-5-2-6-10-25/h3-4,7-8,11-12,14H,2,5-6,9-10H2,1H3/p+1/b18-12+