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

Systemtic Name: (E)-2-(4-chlorophenyl)-3-(7-methyl-2-piperidin-1-yl-quinolin-1-ium-3-yl)prop-2-enenitrile Openeye Name: (E)-2-(4-chlorophenyl)-3-[7-methyl-2-(1-piperidyl)quinolin-1-ium-3-yl]prop-2-enenitrile CAS Name: (E)-2-(4-chlorophenyl)-3-[7-methyl-2-(1-piperidinyl)-3-quinolin-1-iumyl]-2-propenenitrile IUPAC Name: (E)-2-(4-chlorophenyl)-3-(7-methyl-2-piperidin-1-ylquinolin-1-ium-3-yl)prop-2-enenitrile Traditional Name: (E)-2-(4-chlorophenyl)-3-(7-methyl-2-piperidino-quinolin-1-ium-3-yl)acrylonitrile Formula: C24H23ClN3+ MolecularWeight: 388.91252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22ClN3/c1-17-5-6-19-14-20(15-21(16-26)18-7-9-22(25)10-8-18)24(27-23(19)13-17)28-11-3-2-4-12-28/h5-10,13-15H,2-4,11-12H2,1H3/p+1/b21-15-