(3S)-1-[5,6,7-trimethoxy-3-[(thiophen-3-ylmethylamino)methyl]quinolin-2-yl]piperidin-3-ol

Systemtic Name: (3S)-1-[5,6,7-trimethoxy-3-[(thiophen-3-ylmethylamino)methyl]quinolin-2-yl]piperidin-3-ol Openeye Name: (3S)-1-[5,6,7-trimethoxy-3-[(3-thienylmethylamino)methyl]-2-quinolyl]piperidin-3-ol CAS Name: (3S)-1-[5,6,7-trimethoxy-3-[(3-thiophenylmethylamino)methyl]-2-quinolinyl]-3-piperidinol IUPAC Name: (3S)-1-[5,6,7-trimethoxy-3-[(thiophen-3-ylmethylamino)methyl]quinolin-2-yl]piperidin-3-ol Traditional Name: (3S)-1-[5,6,7-trimethoxy-3-[(3-thenylamino)methyl]-2-quinolyl]piperidin-3-ol Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C(=C1OC)OC)CNCC3=CSC=C3)N4CCCC(C4)O

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C(=C1OC)OC)CNCC3=CSC=C3)N4CCC[C@@H](C4)O

InChI

InChI=1S/C23H29N3O4S/c1-28-20-10-19-18(21(29-2)22(20)30-3)9-16(12-24-11-15-6-8-31-14-15)23(25-19)26-7-4-5-17(27)13-26/h6,8-10,14,17,24,27H,4-5,7,11-13H2,1-3H3/t17-/m0/s1