(3S)-3-(1,3-benzodioxol-5-yl)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-1-ium

Systemtic Name: (3S)-3-(1,3-benzodioxol-5-yl)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-1-ium Openeye Name: (3S)-3-(1,3-benzodioxol-5-yl)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-1-ium CAS Name: (3S)-3-(1,3-benzodioxol-5-yl)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-1-ium IUPAC Name: (3S)-3-(1,3-benzodioxol-5-yl)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-1-ium Traditional Name: (3S)-3-(1,3-benzodioxol-5-yl)-1-(3,4-dimethylbenzyl)pyrrolidin-1-ium Formula: C20H24NO2+ MolecularWeight: 310.41006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C[NH+]2CCC(C2)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C[NH+]2CC[C@H](C2)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C20H23NO2/c1-14-3-4-16(9-15(14)2)11-21-8-7-18(12-21)17-5-6-19-20(10-17)23-13-22-19/h3-6,9-10,18H,7-8,11-13H2,1-2H3/p+1/t18-/m1/s1