[3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]-(oxolan-2-ylmethyl)azanium chloride

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]-(oxolan-2-ylmethyl)azanium chloride Openeye Name: [3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]-(tetrahydrofuran-2-ylmethyl)ammonium chloride CAS Name: [3-(1,3-benzodioxol-5-yl)-6-methylheptyl]-(2-oxolanylmethyl)ammonium chloride IUPAC Name: [3-(1,3-benzodioxol-5-yl)-6-methylheptyl]-(oxolan-2-ylmethyl)azanium chloride Traditional Name: [3-(1,3-benzodioxol-5-yl)-6-methyl-heptyl]-(tetrahydrofurfuryl)ammonium chloride Formula: C20H32ClNO3 MolecularWeight: 369.92598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CC[NH2+]CC1CCCO1)C2=CC3=C(C=C2)OCO3.[Cl-]

Isomeric SMILES

CC(C)CCC(CC[NH2+]CC1CCCO1)C2=CC3=C(C=C2)OCO3.[Cl-]

InChI

InChI=1S/C20H31NO3.ClH/c1-15(2)5-6-16(9-10-21-13-18-4-3-11-22-18)17-7-8-19-20(12-17)24-14-23-19;/h7-8,12,15-16,18,21H,3-6,9-11,13-14H2,1-2H3;1H