1-(7-bromanyl-1,3-benzodioxol-5-yl)-N-[(4-phenyloxan-4-yl)methyl]methanamine hydrochloride

Systemtic Name: 1-(7-bromanyl-1,3-benzodioxol-5-yl)-N-[(4-phenyloxan-4-yl)methyl]methanamine hydrochloride Openeye Name: 1-(7-bromo-1,3-benzodioxol-5-yl)-N-[(4-phenyltetrahydropyran-4-yl)methyl]methanamine hydrochloride CAS Name: 1-(7-bromo-1,3-benzodioxol-5-yl)-N-[(4-phenyl-4-oxanyl)methyl]methanamine hydrochloride IUPAC Name: 1-(7-bromo-1,3-benzodioxol-5-yl)-N-[(4-phenyloxan-4-yl)methyl]methanamine hydrochloride Traditional Name: (7-bromo-1,3-benzodioxol-5-yl)methyl-[(4-phenyltetrahydropyran-4-yl)methyl]amine hydrochloride Formula: C20H23BrClNO3 MolecularWeight: 440.75852

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(CNCC2=CC3=C(C(=C2)Br)OCO3)C4=CC=CC=C4.Cl

Isomeric SMILES

C1COCCC1(CNCC2=CC3=C(C(=C2)Br)OCO3)C4=CC=CC=C4.Cl

InChI

InChI=1S/C20H22BrNO3.ClH/c21-17-10-15(11-18-19(17)25-14-24-18)12-22-13-20(6-8-23-9-7-20)16-4-2-1-3-5-16;/h1-5,10-11,22H,6-9,12-14H2;1H