1-(aminomethyl)-3-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]-3,4-dihydro-1H-isochromene-5,6-diol

Systemtic Name: 1-(aminomethyl)-3-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]-3,4-dihydro-1H-isochromene-5,6-diol Openeye Name: 1-(aminomethyl)-3-[1-[2-(2-thienyl)ethyl]-4-piperidyl]isochromane-5,6-diol CAS Name: 1-(aminomethyl)-3-[1-(2-thiophen-2-ylethyl)-4-piperidinyl]-3,4-dihydro-1H-2-benzopyran-5,6-diol IUPAC Name: 1-(aminomethyl)-3-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]-3,4-dihydro-1H-isochromene-5,6-diol Traditional Name: 1-(aminomethyl)-3-[1-[2-(2-thienyl)ethyl]-4-piperidyl]isochroman-5,6-diol Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2CC3=C(C=CC(=C3O)O)C(O2)CN)CCC4=CC=CS4

Isomeric SMILES

C1CN(CCC1C2CC3=C(C=CC(=C3O)O)C(O2)CN)CCC4=CC=CS4

InChI

InChI=1S/C21H28N2O3S/c22-13-20-16-3-4-18(24)21(25)17(16)12-19(26-20)14-5-8-23(9-6-14)10-7-15-2-1-11-27-15/h1-4,11,14,19-20,24-25H,5-10,12-13,22H2