2,2-dimethyl-1-piperazin-4-ium-1-yl-3-(3-propan-2-ylphenoxy)propan-1-one

Systemtic Name: 2,2-dimethyl-1-piperazin-4-ium-1-yl-3-(3-propan-2-ylphenoxy)propan-1-one Openeye Name: 3-(3-isopropylphenoxy)-2,2-dimethyl-1-piperazin-4-ium-1-yl-propan-1-one CAS Name: 2,2-dimethyl-1-(1-piperazin-4-iumyl)-3-(3-propan-2-ylphenoxy)-1-propanone IUPAC Name: 2,2-dimethyl-1-piperazin-4-ium-1-yl-3-(3-propan-2-ylphenoxy)propan-1-one Traditional Name: 3-(3-isopropylphenoxy)-2,2-dimethyl-1-piperazin-4-ium-1-yl-propan-1-one Formula: C18H29N2O2+ MolecularWeight: 305.43506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)OCC(C)(C)C(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC(C)C1=CC(=CC=C1)OCC(C)(C)C(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C18H28N2O2/c1-14(2)15-6-5-7-16(12-15)22-13-18(3,4)17(21)20-10-8-19-9-11-20/h5-7,12,14,19H,8-11,13H2,1-4H3/p+1