2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-[5-methoxy-2-methyl-1-(phenylmethyl)indol-3-yl]ethanone

Systemtic Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-[5-methoxy-2-methyl-1-(phenylmethyl)indol-3-yl]ethanone Openeye Name: 1-(1-benzyl-5-methoxy-2-methyl-indol-3-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanone CAS Name: 2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-1-[5-methoxy-2-methyl-1-(phenylmethyl)-3-indolyl]ethanone IUPAC Name: 1-(1-benzyl-5-methoxy-2-methylindol-3-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanone Traditional Name: 1-(1-benzyl-5-methoxy-2-methyl-indol-3-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanone Formula: C26H33N2O2+ MolecularWeight: 405.55242

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(=O)C2=C(N(C3=C2C=C(C=C3)OC)CC4=CC=CC=C4)C)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CC(=O)C2=C(N(C3=C2C=C(C=C3)OC)CC4=CC=CC=C4)C)C

InChI

InChI=1S/C26H32N2O2/c1-18-12-19(2)15-27(14-18)17-25(29)26-20(3)28(16-21-8-6-5-7-9-21)24-11-10-22(30-4)13-23(24)26/h5-11,13,18-19H,12,14-17H2,1-4H3/p+1/t18-,19-/m1/s1