(E)-N-[(7-methoxy-2-pyrrolidin-1-yl-quinolin-1-ium-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-thiophen-2-yl-prop-2-enamide

Systemtic Name: (E)-N-[(7-methoxy-2-pyrrolidin-1-yl-quinolin-1-ium-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-thiophen-2-yl-prop-2-enamide Openeye Name: (E)-N-[(7-methoxy-2-pyrrolidin-1-yl-quinolin-1-ium-3-yl)methyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-[[7-methoxy-2-(1-pyrrolidinyl)-3-quinolin-1-iumyl]methyl]-N-[[(2R)-2-oxolanyl]methyl]-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-[(7-methoxy-2-pyrrolidin-1-ylquinolin-1-ium-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-[(7-methoxy-2-pyrrolidino-quinolin-1-ium-3-yl)methyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-3-(2-thienyl)acrylamide Formula: C27H32N3O3S+ MolecularWeight: 478.62628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=[NH+]C(=C(C=C2C=C1)CN(CC3CCCO3)C(=O)C=CC4=CC=CS4)N5CCCC5

Isomeric SMILES

COC1=CC2=[NH+]C(=C(C=C2C=C1)CN(C[C@H]3CCCO3)C(=O)/C=C/C4=CC=CS4)N5CCCC5

InChI

InChI=1S/C27H31N3O3S/c1-32-22-9-8-20-16-21(27(28-25(20)17-22)29-12-2-3-13-29)18-30(19-23-6-4-14-33-23)26(31)11-10-24-7-5-15-34-24/h5,7-11,15-17,23H,2-4,6,12-14,18-19H2,1H3/p+1/b11-10+/t23-/m1/s1