2-[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-1-ium-3-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-1-ium-3-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[(3S)-1-[(5-ethyl-2-furyl)methyl]piperidin-1-ium-3-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline CAS Name: 2-[(3S)-1-[(5-ethyl-2-furanyl)methyl]-3-piperidin-1-iumyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-1-ium-3-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[(3S)-1-[(5-ethyl-2-furyl)methyl]piperidin-1-ium-3-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Formula: C23H33N2O3+ MolecularWeight: 385.51972

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)C[NH+]2CCCC(C2)N3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CCC1=CC=C(O1)C[NH+]2CCC[C@@H](C2)N3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C23H32N2O3/c1-4-20-7-8-21(28-20)16-24-10-5-6-19(15-24)25-11-9-17-12-22(26-2)23(27-3)13-18(17)14-25/h7-8,12-13,19H,4-6,9-11,14-16H2,1-3H3/p+1/t19-/m0/s1