1-(azocan-1-yl)-2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanone

Systemtic Name: 1-(azocan-1-yl)-2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanone Openeye Name: 1-(azocan-1-yl)-2-[(1S)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanone CAS Name: 1-(1-azocanyl)-2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanone IUPAC Name: 1-(azocan-1-yl)-2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanone Traditional Name: 1-(azocan-1-yl)-2-[(1S)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanone Formula: C24H33N2O3S+ MolecularWeight: 429.59542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH+](CCC2=C1)CC(=O)N3CCCCCCC3)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH+](CCC2=C1)CC(=O)N3CCCCCCC3)C4=CC=CS4)OC

InChI

InChI=1S/C24H32N2O3S/c1-28-20-15-18-10-13-26(17-23(27)25-11-6-4-3-5-7-12-25)24(22-9-8-14-30-22)19(18)16-21(20)29-2/h8-9,14-16,24H,3-7,10-13,17H2,1-2H3/p+1/t24-/m0/s1