ethyl (E)-2-cyano-3-(2-piperidin-1-ylquinolin-1-ium-3-yl)prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-(2-piperidin-1-ylquinolin-1-ium-3-yl)prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[2-(1-piperidyl)quinolin-1-ium-3-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[2-(1-piperidinyl)-3-quinolin-1-iumyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-(2-piperidin-1-ylquinolin-1-ium-3-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(2-piperidinoquinolin-1-ium-3-yl)acrylic acid ethyl ester Formula: C20H22N3O2+ MolecularWeight: 336.40758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC2=CC=CC=C2[NH+]=C1N3CCCCC3)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC2=CC=CC=C2[NH+]=C1N3CCCCC3)/C#N

InChI

InChI=1S/C20H21N3O2/c1-2-25-20(24)17(14-21)13-16-12-15-8-4-5-9-18(15)22-19(16)23-10-6-3-7-11-23/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3/p+1/b17-13+