N-[(7-methoxy-2-pyrrolidin-1-yl-quinolin-1-ium-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pent-4-enamide

Systemtic Name: N-[(7-methoxy-2-pyrrolidin-1-yl-quinolin-1-ium-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pent-4-enamide Openeye Name: N-[(7-methoxy-2-pyrrolidin-1-yl-quinolin-1-ium-3-yl)methyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pent-4-enamide CAS Name: N-[[7-methoxy-2-(1-pyrrolidinyl)-3-quinolin-1-iumyl]methyl]-N-[[(2R)-2-oxolanyl]methyl]-4-pentenamide IUPAC Name: N-[(7-methoxy-2-pyrrolidin-1-ylquinolin-1-ium-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pent-4-enamide Traditional Name: N-[(7-methoxy-2-pyrrolidino-quinolin-1-ium-3-yl)methyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pent-4-enamide Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=[NH+]C(=C(C=C2C=C1)CN(CC3CCCO3)C(=O)CCC=C)N4CCCC4

Isomeric SMILES

COC1=CC2=[NH+]C(=C(C=C2C=C1)CN(C[C@H]3CCCO3)C(=O)CCC=C)N4CCCC4

InChI

InChI=1S/C25H33N3O3/c1-3-4-9-24(29)28(18-22-8-7-14-31-22)17-20-15-19-10-11-21(30-2)16-23(19)26-25(20)27-12-5-6-13-27/h3,10-11,15-16,22H,1,4-9,12-14,17-18H2,2H3/p+1/t22-/m1/s1