ethyl (E)-2-cyano-3-(7-methyl-2-piperidin-1-yl-quinolin-1-ium-3-yl)prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-(7-methyl-2-piperidin-1-yl-quinolin-1-ium-3-yl)prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[7-methyl-2-(1-piperidyl)quinolin-1-ium-3-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[7-methyl-2-(1-piperidinyl)-3-quinolin-1-iumyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-(7-methyl-2-piperidin-1-ylquinolin-1-ium-3-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(7-methyl-2-piperidino-quinolin-1-ium-3-yl)acrylic acid ethyl ester Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C([NH+]=C2C=C(C=CC2=C1)C)N3CCCCC3)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=C([NH+]=C2C=C(C=CC2=C1)C)N3CCCCC3)/C#N

InChI

InChI=1S/C21H23N3O2/c1-3-26-21(25)18(14-22)13-17-12-16-8-7-15(2)11-19(16)23-20(17)24-9-5-4-6-10-24/h7-8,11-13H,3-6,9-10H2,1-2H3/p+1/b18-13+