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

Systemtic Name: 2-[(3S)-1-[(5-chloranylthiophen-2-yl)methyl]piperidin-1-ium-3-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[(3S)-1-[(5-chloro-2-thienyl)methyl]piperidin-1-ium-3-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline CAS Name: 2-[(3S)-1-[(5-chloro-2-thiophenyl)methyl]-3-piperidin-1-iumyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[(3S)-1-[(5-chlorothiophen-2-yl)methyl]piperidin-1-ium-3-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[(3S)-1-[(5-chloro-2-thienyl)methyl]piperidin-1-ium-3-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Formula: C21H28ClN2O2S+ MolecularWeight: 407.97722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3CCC[NH+](C3)CC4=CC=C(S4)Cl)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)[C@H]3CCC[NH+](C3)CC4=CC=C(S4)Cl)OC

InChI

InChI=1S/C21H27ClN2O2S/c1-25-19-10-15-7-9-24(12-16(15)11-20(19)26-2)17-4-3-8-23(13-17)14-18-5-6-21(22)27-18/h5-6,10-11,17H,3-4,7-9,12-14H2,1-2H3/p+1/t17-/m0/s1