N-[(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl]-1-piperidin-4-yl-methanamine dihydrochloride

Systemtic Name: N-[(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl]-1-piperidin-4-yl-methanamine dihydrochloride Openeye Name: N-[(4-allyloxy-3-bromo-5-methoxy-phenyl)methyl]-1-(4-piperidyl)methanamine dihydrochloride CAS Name: N-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-1-(4-piperidinyl)methanamine dihydrochloride IUPAC Name: N-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-1-piperidin-4-ylmethanamine dihydrochloride Traditional Name: (4-allyloxy-3-bromo-5-methoxy-benzyl)-(4-piperidylmethyl)amine dihydrochloride Formula: C17H27BrCl2N2O2 MolecularWeight: 442.21848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNCC2CCNCC2)Br)OCC=C.Cl.Cl

Isomeric SMILES

COC1=C(C(=CC(=C1)CNCC2CCNCC2)Br)OCC=C.Cl.Cl

InChI

InChI=1S/C17H25BrN2O2.2ClH/c1-3-8-22-17-15(18)9-14(10-16(17)21-2)12-20-11-13-4-6-19-7-5-13;;/h3,9-10,13,19-20H,1,4-8,11-12H2,2H3;2*1H