1-[4-[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]piperidin-1-yl]ethanone

Systemtic Name: 1-[4-[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]piperidin-1-yl]ethanone Openeye Name: 1-[4-[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]-1-piperidyl]ethanone CAS Name: 1-[4-[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidin-1-iumyl]-1-piperidinyl]ethanone IUPAC Name: 1-[4-[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]piperidin-1-yl]ethanone Traditional Name: 1-[4-[(3S)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-ium-1-yl]piperidino]ethanone Formula: C23H36N3O3+ MolecularWeight: 402.55024

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)[NH+]2CCCC(C2)N3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CC(=O)N1CCC(CC1)[NH+]2CCC[C@@H](C2)N3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C23H35N3O3/c1-17(27)24-11-7-20(8-12-24)25-9-4-5-21(16-25)26-10-6-18-13-22(28-2)23(29-3)14-19(18)15-26/h13-14,20-21H,4-12,15-16H2,1-3H3/p+1/t21-/m0/s1