N-[3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]-1-methyl-piperidin-1-ium-4-amine chloride

Systemtic Name: N-[3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]-1-methyl-piperidin-1-ium-4-amine chloride Openeye Name: N-[3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]-1-methyl-piperidin-1-ium-4-amine chloride CAS Name: N-[3-(1,3-benzodioxol-5-yl)-6-methylheptyl]-1-methyl-4-piperidin-1-iumamine chloride IUPAC Name: N-[3-(1,3-benzodioxol-5-yl)-6-methylheptyl]-1-methylpiperidin-1-ium-4-amine chloride Traditional Name: [3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]-(1-methylpiperidin-1-ium-4-yl)amine chloride Formula: C21H35ClN2O2 MolecularWeight: 382.9678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CCNC1CC[NH+](CC1)C)C2=CC3=C(C=C2)OCO3.[Cl-]

Isomeric SMILES

CC(C)CCC(CCNC1CC[NH+](CC1)C)C2=CC3=C(C=C2)OCO3.[Cl-]

InChI

InChI=1S/C21H34N2O2.ClH/c1-16(2)4-5-17(8-11-22-19-9-12-23(3)13-10-19)18-6-7-20-21(14-18)25-15-24-20;/h6-7,14,16-17,19,22H,4-5,8-13,15H2,1-3H3;1H