(3S)-6-bromanyl-7-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)-3-pyrrolidin-1-yl-2H-chromen-4-one

Systemtic Name: (3S)-6-bromanyl-7-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)-3-pyrrolidin-1-yl-2H-chromen-4-one Openeye Name: (3S)-6-bromo-7-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)-3-pyrrolidin-1-yl-chroman-4-one CAS Name: (3S)-6-bromo-7-methyl-3-(1-pyrrolidin-1-iumylmethyl)-3-(1-pyrrolidinyl)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (3S)-6-bromo-7-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)-3-pyrrolidin-1-yl-2H-chromen-4-one Traditional Name: (3S)-6-bromo-7-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)-3-pyrrolidino-chroman-4-one Formula: C19H26BrN2O2+ MolecularWeight: 394.32594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OCC(C2=O)(C[NH+]3CCCC3)N4CCCC4)Br

Isomeric SMILES

CC1=C(C=C2C(=C1)OC[C@](C2=O)(C[NH+]3CCCC3)N4CCCC4)Br

InChI

InChI=1S/C19H25BrN2O2/c1-14-10-17-15(11-16(14)20)18(23)19(13-24-17,22-8-4-5-9-22)12-21-6-2-3-7-21/h10-11H,2-9,12-13H2,1H3/p+1/t19-/m0/s1