(Z)-2-(4-chlorophenyl)-3-(2-piperidin-1-ylquinolin-1-ium-3-yl)prop-2-enenitrile

Systemtic Name: (Z)-2-(4-chlorophenyl)-3-(2-piperidin-1-ylquinolin-1-ium-3-yl)prop-2-enenitrile Openeye Name: (Z)-2-(4-chlorophenyl)-3-[2-(1-piperidyl)quinolin-1-ium-3-yl]prop-2-enenitrile CAS Name: (Z)-2-(4-chlorophenyl)-3-[2-(1-piperidinyl)-3-quinolin-1-iumyl]-2-propenenitrile IUPAC Name: (Z)-2-(4-chlorophenyl)-3-(2-piperidin-1-ylquinolin-1-ium-3-yl)prop-2-enenitrile Traditional Name: (Z)-2-(4-chlorophenyl)-3-(2-piperidinoquinolin-1-ium-3-yl)acrylonitrile Formula: C23H21ClN3+ MolecularWeight: 374.88594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=[NH+]C3=CC=CC=C3C=C2C=C(C#N)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(CC1)C2=[NH+]C3=CC=CC=C3C=C2/C=C(\C#N)/C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H20ClN3/c24-21-10-8-17(9-11-21)20(16-25)15-19-14-18-6-2-3-7-22(18)26-23(19)27-12-4-1-5-13-27/h2-3,6-11,14-15H,1,4-5,12-13H2/p+1/b20-15+