2-[(3S)-1-[(8-methoxy-2H-chromen-3-yl)methyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[(3S)-1-[(8-methoxy-2H-chromen-3-yl)methyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[(3S)-1-[(8-methoxy-2H-chromen-3-yl)methyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[(3S)-1-[(8-methoxy-2H-1-benzopyran-3-yl)methyl]-3-piperidin-1-iumyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[(3S)-1-[(8-methoxy-2H-chromen-3-yl)methyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[(3S)-1-[(8-methoxy-2H-chromen-3-yl)methyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Formula: C25H31N2O2+ MolecularWeight: 391.52584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OCC(=C2)C[NH+]3CCCC(C3)N4CCC5=CC=CC=C5C4

Isomeric SMILES

COC1=CC=CC2=C1OCC(=C2)C[NH+]3CCC[C@@H](C3)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H30N2O2/c1-28-24-10-4-8-21-14-19(18-29-25(21)24)15-26-12-5-9-23(17-26)27-13-11-20-6-2-3-7-22(20)16-27/h2-4,6-8,10,14,23H,5,9,11-13,15-18H2,1H3/p+1/t23-/m0/s1