4-(4-bromophenyl)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-ol

Systemtic Name: 4-(4-bromophenyl)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-ol Openeye Name: 4-(4-bromophenyl)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-ol CAS Name: 4-(4-bromophenyl)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-piperidin-1-iumol IUPAC Name: 4-(4-bromophenyl)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-ol Traditional Name: 4-(4-bromophenyl)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-ol Formula: C20H23BrNO4+ MolecularWeight: 421.30492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C[NH+]3CCC(CC3)(C4=CC=C(C=C4)Br)O

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C[NH+]3CCC(CC3)(C4=CC=C(C=C4)Br)O

InChI

InChI=1S/C20H22BrNO4/c1-24-17-10-14(11-18-19(17)26-13-25-18)12-22-8-6-20(23,7-9-22)15-2-4-16(21)5-3-15/h2-5,10-11,23H,6-9,12-13H2,1H3/p+1