4-[(3R)-3-(1,3-benzodioxol-5-yl)pyrrolidin-1-ium-1-yl]-1-phenyl-butan-1-one

Systemtic Name: 4-[(3R)-3-(1,3-benzodioxol-5-yl)pyrrolidin-1-ium-1-yl]-1-phenyl-butan-1-one Openeye Name: 4-[(3R)-3-(1,3-benzodioxol-5-yl)pyrrolidin-1-ium-1-yl]-1-phenyl-butan-1-one CAS Name: 4-[(3R)-3-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-iumyl]-1-phenyl-1-butanone IUPAC Name: 4-[(3R)-3-(1,3-benzodioxol-5-yl)pyrrolidin-1-ium-1-yl]-1-phenylbutan-1-one Traditional Name: 4-[(3R)-3-(1,3-benzodioxol-5-yl)pyrrolidin-1-ium-1-yl]-1-phenyl-butan-1-one Formula: C21H24NO3+ MolecularWeight: 338.42016

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1C2=CC3=C(C=C2)OCO3)CCCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1C2=CC3=C(C=C2)OCO3)CCCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H23NO3/c23-19(16-5-2-1-3-6-16)7-4-11-22-12-10-18(14-22)17-8-9-20-21(13-17)25-15-24-20/h1-3,5-6,8-9,13,18H,4,7,10-12,14-15H2/p+1/t18-/m0/s1