1-[3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]pyrrolidin-1-ium chloride

Systemtic Name: 1-[3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]pyrrolidin-1-ium chloride Openeye Name: 1-[3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]pyrrolidin-1-ium chloride CAS Name: 1-[3-(1,3-benzodioxol-5-yl)-6-methylheptyl]pyrrolidin-1-ium chloride IUPAC Name: 1-[3-(1,3-benzodioxol-5-yl)-6-methylheptyl]pyrrolidin-1-ium chloride Traditional Name: 1-[3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]pyrrolidin-1-ium chloride Formula: C19H30ClNO2 MolecularWeight: 339.9

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CC[NH+]1CCCC1)C2=CC3=C(C=C2)OCO3.[Cl-]

Isomeric SMILES

CC(C)CCC(CC[NH+]1CCCC1)C2=CC3=C(C=C2)OCO3.[Cl-]

InChI

InChI=1S/C19H29NO2.ClH/c1-15(2)5-6-16(9-12-20-10-3-4-11-20)17-7-8-18-19(13-17)22-14-21-18;/h7-8,13,15-16H,3-6,9-12,14H2,1-2H3;1H