(E)-4-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]-4-oxidanylidene-but-2-enoate

Systemtic Name: (E)-4-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]-4-oxo-but-2-enoate CAS Name: (E)-4-[4-(2-methyl-4-quinolin-1-iumyl)-1-piperazinyl]-4-oxo-2-butenoate IUPAC Name: (E)-4-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[4-(2-methylquinolin-1-ium-4-yl)piperazino]but-2-enoate Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)C(=O)C=CC(=O)[O-]

Isomeric SMILES

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)C(=O)/C=C/C(=O)[O-]

InChI

InChI=1S/C18H19N3O3/c1-13-12-16(14-4-2-3-5-15(14)19-13)20-8-10-21(11-9-20)17(22)6-7-18(23)24/h2-7,12H,8-11H2,1H3,(H,23,24)/b7-6+