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

Systemtic Name: (E)-3-(7-methyl-2-piperidin-1-yl-quinolin-1-ium-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-[7-methyl-2-(1-piperidyl)quinolin-1-ium-3-yl]-2-(4-methylthiazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-[7-methyl-2-(1-piperidinyl)-3-quinolin-1-iumyl]-2-(4-methyl-2-thiazolyl)-2-propenenitrile IUPAC Name: (E)-3-(7-methyl-2-piperidin-1-ylquinolin-1-ium-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(7-methyl-2-piperidino-quinolin-1-ium-3-yl)-2-(4-methylthiazol-2-yl)acrylonitrile Formula: C22H23N4S+ MolecularWeight: 375.50982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[NH+]C(=C(C=C2C=C1)C=C(C#N)C3=NC(=CS3)C)N4CCCCC4

Isomeric SMILES

CC1=CC2=[NH+]C(=C(C=C2C=C1)/C=C(\C#N)/C3=NC(=CS3)C)N4CCCCC4

InChI

InChI=1S/C22H22N4S/c1-15-6-7-17-11-18(12-19(13-23)22-24-16(2)14-27-22)21(25-20(17)10-15)26-8-4-3-5-9-26/h6-7,10-12,14H,3-5,8-9H2,1-2H3/p+1/b19-12+