1-(5,6-dimethoxy-1-methyl-indol-2-yl)-3-[1-methyl-1-(phenylmethyl)piperidin-1-ium-4-yl]propan-1-one

Systemtic Name: 1-(5,6-dimethoxy-1-methyl-indol-2-yl)-3-[1-methyl-1-(phenylmethyl)piperidin-1-ium-4-yl]propan-1-one Openeye Name: 3-(1-benzyl-1-methyl-piperidin-1-ium-4-yl)-1-(5,6-dimethoxy-1-methyl-indol-2-yl)propan-1-one CAS Name: 1-(5,6-dimethoxy-1-methyl-2-indolyl)-3-[1-methyl-1-(phenylmethyl)-4-piperidin-1-iumyl]-1-propanone IUPAC Name: 3-(1-benzyl-1-methylpiperidin-1-ium-4-yl)-1-(5,6-dimethoxy-1-methylindol-2-yl)propan-1-one Traditional Name: 3-(1-benzyl-1-methyl-piperidin-1-ium-4-yl)-1-(5,6-dimethoxy-1-methyl-indol-2-yl)propan-1-one Formula: C27H35N2O3+ MolecularWeight: 435.5784

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=C(C=C2C=C1C(=O)CCC3CC[N+](CC3)(C)CC4=CC=CC=C4)OC)OC

Isomeric SMILES

CN1C2=CC(=C(C=C2C=C1C(=O)CCC3CC[N+](CC3)(C)CC4=CC=CC=C4)OC)OC

InChI

InChI=1S/C27H35N2O3/c1-28-23-18-27(32-4)26(31-3)17-22(23)16-24(28)25(30)11-10-20-12-14-29(2,15-13-20)19-21-8-6-5-7-9-21/h5-9,16-18,20H,10-15,19H2,1-4H3/q+1