1-(4-methyl-4-propan-2-yl-piperazin-4-ium-1-yl)-3,3-diphenyl-propan-1-one iodide

Systemtic Name: 1-(4-methyl-4-propan-2-yl-piperazin-4-ium-1-yl)-3,3-diphenyl-propan-1-one iodide Openeye Name: 1-(4-isopropyl-4-methyl-piperazin-4-ium-1-yl)-3,3-diphenyl-propan-1-one iodide CAS Name: 1-(4-methyl-4-propan-2-yl-1-piperazin-4-iumyl)-3,3-diphenyl-1-propanone iodide IUPAC Name: 1-(4-methyl-4-propan-2-ylpiperazin-4-ium-1-yl)-3,3-diphenylpropan-1-one iodide Traditional Name: 1-(4-isopropyl-4-methyl-piperazin-4-ium-1-yl)-3,3-diphenyl-propan-1-one iodide Formula: C23H31IN2O MolecularWeight: 478.40951

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1(CCN(CC1)C(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3)C.[I-]

Isomeric SMILES

CC(C)[N+]1(CCN(CC1)C(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3)C.[I-]

InChI

InChI=1S/C23H31N2O.HI/c1-19(2)25(3)16-14-24(15-17-25)23(26)18-22(20-10-6-4-7-11-20)21-12-8-5-9-13-21;/h4-13,19,22H,14-18H2,1-3H3;1H/q+1;/p-1